N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide

C23H22N2O2 — CID 68732695

IUPACN-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide
SMILESCC#CCCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C23H22N2O2/c1-3-4-5-6-15-27-21-11-7-10-20(17-21)25(2)23(26)19-12-13-22-18(16-19)9-8-14-24-22/h7-14,16-17H,5-6,15H2,1-2H3
InChIKeyUNSCEOMREBUWHA-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.69
Rot. Bonds6

About N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide

N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide (PubChem CID 68732695) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide
PubChem CID68732695
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide
SMILESCC#CCCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C23H22N2O2/c1-3-4-5-6-15-27-21-11-7-10-20(17-21)25(2)23(26)19-12-13-22-18(16-19)9-8-14-24-22/h7-14,16-17H,5-6,15H2,1-2H3
InChIKeyUNSCEOMREBUWHA-UHFFFAOYSA-N
XLogP4.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
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-5-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 87554261
N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide
CID 68733496
N-[(3-oct-6-ynoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733091
N-methyl-N-(3-oct-4-ynoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 68984215
N-(2-fluoro-3-oct-5-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68731637
N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 87552866
N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732778
N-[(3-hept-5-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68732822
N-(3-aminophenyl)-N-methyl-3-propoxybenzamide
CID 62918808
N-[(3-pent-3-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734738
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120

Frequently Asked Questions

What is the IUPAC name of N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
The IUPAC name of N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide (CID 68732695) is N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
The canonical SMILES for N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide is CC#CCCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1.
What is the InChIKey of N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
The InChIKey is UNSCEOMREBUWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-4-5-6-15-27-21-11-7-10-20(17-21)25(2)23(26)19-12-13-22-18(16-19)9-8-14-24-22/h7-14,16-17H,5-6,15H2,1-2H3.
What are the key properties of N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 68732695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).