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Chemical ID: 7310969
Chemical ID:
7310969
Name [?]:
N-pentylquinoline-2-carboxamide
SMILES [?]:
CCCCCNC(=O)c1ccc2ccccc2n1
InChi [?]:
InChI=1/C15H18N2O/c1-2-3-6-11-16-15(18)14-10-9-12-7-4-5-8-13(12)17-14/h4-5,7-10H,2-3,6,11H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,14,15,4,13,16,11,10,5,12,17,9,7,6,18,8/rA:18nCCCCCNCOCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O |
All Atoms: | 36 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0752 |
Area: | 462.654 |
Solvation: | -1.49116 |
Coulombic: | -31.0569 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 242.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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