N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide

C23H24N2O2 — CID 68733416

IUPACN-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESCC=CCCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C23H24N2O2/c1-3-4-5-6-14-27-21-9-7-8-20(16-21)25-23(26)19-12-13-22-18(15-19)11-10-17(2)24-22/h3-4,7-13,15-16H,5-6,14H2,1-2H3,(H,25,26)
InChIKeyDCRFNWAMNDLCPH-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.53
Rot. Bonds7

About N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide

N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide (PubChem CID 68733416) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide
PubChem CID68733416
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESCC=CCCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C23H24N2O2/c1-3-4-5-6-14-27-21-9-7-8-20(16-21)25-23(26)19-12-13-22-18(15-19)11-10-17(2)24-22/h3-4,7-13,15-16H,5-6,14H2,1-2H3,(H,25,26)
InChIKeyDCRFNWAMNDLCPH-UHFFFAOYSA-N
XLogP5.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.53
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-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733534
N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733424
N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide
CID 143859399
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-[(3-hept-5-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68732822
N-(3-hex-3-enoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986039
N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68732465
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[(3-pent-3-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734738
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68734401

Frequently Asked Questions

What is the IUPAC name of N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide (CID 68733416) is N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide is CC=CCCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1.
What is the InChIKey of N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide?
The InChIKey is DCRFNWAMNDLCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-4-5-6-14-27-21-9-7-8-20(16-21)25-23(26)19-12-13-22-18(15-19)11-10-17(2)24-22/h3-4,7-13,15-16H,5-6,14H2,1-2H3,(H,25,26).
What are the key properties of N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide?
N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 68733416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).