N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide

C21H13ClFN3O — CID 70660095

IUPACN-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12)c1ccncc1
InChIInChI=1S/C21H13ClFN3O/c22-14-5-6-17(23)16(11-14)20-12-19(15-3-1-2-4-18(15)25-20)26-21(27)13-7-9-24-10-8-13/h1-12H,(H,25,26,27)
InChIKeyJQDKLTAFKSANSQ-UHFFFAOYSA-N
MW377.81 g/mol
LogP5.34
Rot. Bonds3

About N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide

N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide (PubChem CID 70660095) has the molecular formula C21H13ClFN3O and a molecular weight of 377.81 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide
PubChem CID70660095
Molecular FormulaC21H13ClFN3O
Molecular Weight377.81 g/mol
Exact Mass377.07
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12)c1ccncc1
InChIInChI=1S/C21H13ClFN3O/c22-14-5-6-17(23)16(11-14)20-12-19(15-3-1-2-4-18(15)25-20)26-21(27)13-7-9-24-10-8-13/h1-12H,(H,25,26,27)
InChIKeyJQDKLTAFKSANSQ-UHFFFAOYSA-N
XLogP5.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.81
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]-3-(dimethylamino)propanamide
CID 70660142
2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine
CID 70660144
N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
CID 100692060
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine
CID 70660140
2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
CID 52919256
CID 88944352
CID 88944352
4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide
CID 11854402
N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide
CID 25223765
[[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-methylamino]-3-pyridinyl]amino]methanol
CID 70661362
2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline
CID 67365445
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide (CID 70660095) is N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide is O=C(Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12)c1ccncc1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide?
The InChIKey is JQDKLTAFKSANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3O/c22-14-5-6-17(23)16(11-14)20-12-19(15-3-1-2-4-18(15)25-20)26-21(27)13-7-9-24-10-8-13/h1-12H,(H,25,26,27).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide?
N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide has a molecular weight of 377.81 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 70660095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).