N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide

C22H16FN3O2 — CID 55868418

IUPACN-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1F
InChIInChI=1S/C22H16FN3O2/c1-28-21-9-8-15(11-18(21)23)25-22(27)17-12-20(14-5-4-10-24-13-14)26-19-7-3-2-6-16(17)19/h2-13H,1H3,(H,25,27)
InChIKeyCEZNMQUKSGBYRR-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.70
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide

N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 55868418) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID55868418
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1F
InChIInChI=1S/C22H16FN3O2/c1-28-21-9-8-15(11-18(21)23)25-22(27)17-12-20(14-5-4-10-24-13-14)26-19-7-3-2-6-16(17)19/h2-13H,1H3,(H,25,27)
InChIKeyCEZNMQUKSGBYRR-UHFFFAOYSA-N
XLogP4.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 30294376
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55619404
N-(5-acetamido-2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 43052490
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
N-(4-carbamoyl-3-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 56516872

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 55868418) is N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is CEZNMQUKSGBYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-28-21-9-8-15(11-18(21)23)25-22(27)17-12-20(14-5-4-10-24-13-14)26-19-7-3-2-6-16(17)19/h2-13H,1H3,(H,25,27).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 55868418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).