N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide

C23H17ClFN3O2 — CID 42618047

IUPACN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
InChIInChI=1S/C23H17ClFN3O2/c1-14-18(8-4-10-26-14)23(30)28(17-6-2-5-16(24)12-17)13-15-11-21(29)27-22-19(15)7-3-9-20(22)25/h2-12H,13H2,1H3,(H,27,29)
InChIKeyLHVMWZYDNJRAKK-UHFFFAOYSA-N
MW421.86 g/mol
LogP4.87
Rot. Bonds4

About N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide

N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide (PubChem CID 42618047) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide
PubChem CID42618047
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC NameN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
InChIInChI=1S/C23H17ClFN3O2/c1-14-18(8-4-10-26-14)23(30)28(17-6-2-5-16(24)12-17)13-15-11-21(29)27-22-19(15)7-3-9-20(22)25/h2-12H,13H2,1H3,(H,27,29)
InChIKeyLHVMWZYDNJRAKK-UHFFFAOYSA-N
XLogP4.87
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide (CID 42618047) is N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is LHVMWZYDNJRAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c1-14-18(8-4-10-26-14)23(30)28(17-6-2-5-16(24)12-17)13-15-11-21(29)27-22-19(15)7-3-9-20(22)25/h2-12H,13H2,1H3,(H,27,29).
What are the key properties of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide?
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 421.86 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 42618047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).