N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

C19H12ClF2N5O2 — CID 59740739

IUPACN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(c1ncn[nH]1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
InChIInChI=1S/C19H12ClF2N5O2/c20-11-2-1-3-12(7-11)27(19(29)18-23-9-24-26-18)8-10-6-15(28)25-17-13(10)4-5-14(21)16(17)22/h1-7,9H,8H2,(H,25,28)(H,23,24,26)
InChIKeyHESUZSKLBTWGCG-UHFFFAOYSA-N
MW415.79 g/mol
LogP3.42
Rot. Bonds4

About N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 59740739) has the molecular formula C19H12ClF2N5O2 and a molecular weight of 415.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID59740739
Molecular FormulaC19H12ClF2N5O2
Molecular Weight415.79 g/mol
Exact Mass415.06
IUPAC NameN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(c1ncn[nH]1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
InChIInChI=1S/C19H12ClF2N5O2/c20-11-2-1-3-12(7-11)27(19(29)18-23-9-24-26-18)8-10-6-15(28)25-17-13(10)4-5-14(21)16(17)22/h1-7,9H,8H2,(H,25,28)(H,23,24,26)
InChIKeyHESUZSKLBTWGCG-UHFFFAOYSA-N
XLogP3.42
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.79
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 59740709
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-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide
CID 59740752
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
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]quinoline-6-carboxamide
CID 59740729
4-[(3-chloro-N-[4-(dimethylamino)pyrimidin-2-yl]anilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 25181487
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 59740726
4-[(3-chloro-N-(6-methyl-2-pyridinyl)anilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 71024989
4-[(3-chloro-N-(1,4-dimethylimidazol-2-yl)anilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 68891328
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 24782399
N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 59740689
N-(3-chloro-2-methylphenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24782901

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 59740739) is N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is O=C(c1ncn[nH]1)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HESUZSKLBTWGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N5O2/c20-11-2-1-3-12(7-11)27(19(29)18-23-9-24-26-18)8-10-6-15(28)25-17-13(10)4-5-14(21)16(17)22/h1-7,9H,8H2,(H,25,28)(H,23,24,26).
What are the key properties of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 415.79 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 59740739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).