N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide

C24H24N2O2 — CID 68733424

IUPACN-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESCCC#CCCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C24H24N2O2/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/h8-14,16-17H,3,6-7,15H2,1-2H3,(H,26,27)
InChIKeyPJJPOHPARSHYHF-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.37
Rot. Bonds6

About N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide

N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide (PubChem CID 68733424) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
PubChem CID68733424
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESCCC#CCCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1
InChIInChI=1S/C24H24N2O2/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/h8-14,16-17H,3,6-7,15H2,1-2H3,(H,26,27)
InChIKeyPJJPOHPARSHYHF-UHFFFAOYSA-N
XLogP5.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733416
N-(3-hept-2-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733534
N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide
CID 143859399
2-methyl-N-(3-oct-7-ynoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 87646423
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68734401
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55878584
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[3-(3-cyanopropoxy)phenyl]-4-methylsulfanylbenzamide
CID 87026604
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
N-(3-hex-3-enoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986039

Frequently Asked Questions

What is the IUPAC name of N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide (CID 68733424) is N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide is CCC#CCCCOc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1.
What is the InChIKey of N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
The InChIKey is PJJPOHPARSHYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/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/h8-14,16-17H,3,6-7,15H2,1-2H3,(H,26,27).
What are the key properties of N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 68733424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).