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

C21H15ClF2N4O2 — CID 42618068

IUPACN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H15ClF2N4O2/c1-27-11-25-9-17(27)21(30)28(14-4-2-3-13(22)8-14)10-12-7-18(29)26-20-15(12)5-6-16(23)19(20)24/h2-9,11H,10H2,1H3,(H,26,29)
InChIKeyVDKGHNONPLKNFN-UHFFFAOYSA-N
MW428.83 g/mol
LogP4.04
Rot. Bonds4

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

N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide (PubChem CID 42618068) has the molecular formula C21H15ClF2N4O2 and a molecular weight of 428.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide
PubChem CID42618068
Molecular FormulaC21H15ClF2N4O2
Molecular Weight428.83 g/mol
Exact Mass428.09
IUPAC NameN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H15ClF2N4O2/c1-27-11-25-9-17(27)21(30)28(14-4-2-3-13(22)8-14)10-12-7-18(29)26-20-15(12)5-6-16(23)19(20)24/h2-9,11H,10H2,1H3,(H,26,29)
InChIKeyVDKGHNONPLKNFN-UHFFFAOYSA-N
XLogP4.04
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide with MolForge

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Related Compounds

(1-Benzyl-1h-Imidazol-4-Yl)[4-(2-Chlorophenyl)piperazin-1-Yl]methanone
CID 74983356
8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one
CID 156596362
N-(2-fluoro-5-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 8002584
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide
CID 10001816
N-cyclohexyl-2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1H-imidazole-4-carboxamide
CID 21948995
1-(4-chlorophenyl)-N-cyclohexyl-2-phenyl-1H-imidazole-4-carboxamide
CID 22285546
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-4-carboxamide
CID 23398439
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxamide
CID 44425202
2-(2-chlorophenyl)-N-cyclohexyl-1-(4-fluorophenyl)-1H-imidazole-4-carboxamide
CID 44425205
1-(4-chlorophenyl)-N-cyclohexyl-2-(2-ethylphenyl)-1H-imidazole-4-carboxamide
CID 44425207
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-propylimidazole-4-carboxamide;dihydrochloride
CID 54578099
[3-[(2-Chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 155669593

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide (CID 42618068) is N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)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]-3-methylimidazole-4-carboxamide?
The InChIKey is VDKGHNONPLKNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N4O2/c1-27-11-25-9-17(27)21(30)28(14-4-2-3-13(22)8-14)10-12-7-18(29)26-20-15(12)5-6-16(23)19(20)24/h2-9,11H,10H2,1H3,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide?
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide has a molecular weight of 428.83 g/mol, XLogP of 4.04, 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-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 42618068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).