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

C21H14ClFN4O2 — CID 59740752

IUPACN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H14ClFN4O2/c22-14-3-1-4-15(10-14)27(21(29)18-11-24-7-8-25-18)12-13-9-19(28)26-20-16(13)5-2-6-17(20)23/h1-11H,12H2,(H,26,28)
InChIKeyVMGPTBHLBZASAZ-UHFFFAOYSA-N
MW408.82 g/mol
LogP3.96
Rot. Bonds4

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

N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 59740752) has the molecular formula C21H14ClFN4O2 and a molecular weight of 408.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID59740752
Molecular FormulaC21H14ClFN4O2
Molecular Weight408.82 g/mol
Exact Mass408.08
IUPAC NameN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H14ClFN4O2/c22-14-3-1-4-15(10-14)27(21(29)18-11-24-7-8-25-18)12-13-9-19(28)26-20-16(13)5-2-6-17(20)23/h1-11H,12H2,(H,26,28)
InChIKeyVMGPTBHLBZASAZ-UHFFFAOYSA-N
XLogP3.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]quinoline-6-carboxamide
CID 59740729
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 59740726
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 59740739
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 42638118
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 59740709
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 42618044
8-fluoro-4-[[N-pyrazin-2-yl-3-(trifluoromethyl)anilino]methyl]-1H-quinolin-2-one
CID 25211108
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-4,5-dihydro-1,3-oxazole-5-carboxamide
CID 71012150
8-fluoro-4-[[[5-fluoro-2-(trifluoromethyl)phenyl]methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one
CID 25211209
N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42618070
N-(3-chlorophenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
CID 59740649
4-[(3-chloro-N-[4-(dimethylamino)pyrimidin-2-yl]anilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 25181487

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide (CID 59740752) is N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide is O=C(c1cnccn1)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]pyrazine-2-carboxamide?
The InChIKey is VMGPTBHLBZASAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O2/c22-14-3-1-4-15(10-14)27(21(29)18-11-24-7-8-25-18)12-13-9-19(28)26-20-16(13)5-2-6-17(20)23/h1-11H,12H2,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide?
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 408.82 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]pyrazine-2-carboxamide is sourced from PubChem (CID 59740752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).