N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide

C24H26N2O2 — CID 68733534

IUPACN-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESCCCCC=CCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C24H26N2O2/c1-3-4-5-6-7-15-28-22-10-8-9-21(17-22)26-24(27)20-13-14-23-19(16-20)12-11-18(2)25-23/h6-14,16-17H,3-5,15H2,1-2H3,(H,26,27)
InChIKeyQINMFAFVSJYKQC-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.92
Rot. Bonds8

About N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide

N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide (PubChem CID 68733534) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide
PubChem CID68733534
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESCCCCC=CCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C24H26N2O2/c1-3-4-5-6-7-15-28-22-10-8-9-21(17-22)26-24(27)20-13-14-23-19(16-20)12-11-18(2)25-23/h6-14,16-17H,3-5,15H2,1-2H3,(H,26,27)
InChIKeyQINMFAFVSJYKQC-UHFFFAOYSA-N
XLogP5.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733416
N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733424
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-(3-hex-3-enoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986039
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
3-[(Z)-non-2-enoxy]benzamide
CID 59403054
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
N-(2-fluoro-3-hept-2-enoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986218
N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide
CID 143859399
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide
CID 17095050
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128

Frequently Asked Questions

What is the IUPAC name of N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide (CID 68733534) is N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide is CCCCC=CCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1.
What is the InChIKey of N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide?
The InChIKey is QINMFAFVSJYKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-4-5-6-7-15-28-22-10-8-9-21(17-22)26-24(27)20-13-14-23-19(16-20)12-11-18(2)25-23/h6-14,16-17H,3-5,15H2,1-2H3,(H,26,27).
What are the key properties of N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide?
N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 68733534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).