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

C24H23FN2O2 — CID 68732778

IUPACN-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide
SMILESCCCC#CCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C24H23FN2O2/c1-3-4-5-6-7-16-29-22-12-8-11-21(23(22)25)27(2)24(28)19-13-14-20-18(17-19)10-9-15-26-20/h8-15,17H,3-4,7,16H2,1-2H3
InChIKeyPYKFDFVNCJGKHI-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.22
Rot. Bonds6

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

N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide (PubChem CID 68732778) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide
PubChem CID68732778
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC NameN-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide
SMILESCCCC#CCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F
InChIInChI=1S/C24H23FN2O2/c1-3-4-5-6-7-16-29-22-12-8-11-21(23(22)25)27(2)24(28)19-13-14-20-18(17-19)10-9-15-26-20/h8-15,17H,3-4,7,16H2,1-2H3
InChIKeyPYKFDFVNCJGKHI-UHFFFAOYSA-N
XLogP5.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.22
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-(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-hex-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68734704
N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732097
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417
N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732695
N-(3-hex-5-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 87554261
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733437
N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734840
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
The IUPAC name of N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide (CID 68732778) is N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
The canonical SMILES for N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide is CCCC#CCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1F.
What is the InChIKey of N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
The InChIKey is PYKFDFVNCJGKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-3-4-5-6-7-16-29-22-12-8-11-21(23(22)25)27(2)24(28)19-13-14-20-18(17-19)10-9-15-26-20/h8-15,17H,3-4,7,16H2,1-2H3.
What are the key properties of N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide?
N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-hept-3-ynoxyphenyl)-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 68732778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).