N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide

C23H21ClN4O — CID 33258382

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H21ClN4O/c1-16-21(11-19-10-20(24)8-9-22(19)26-16)23(29)27(2)13-18-12-25-28(15-18)14-17-6-4-3-5-7-17/h3-12,15H,13-14H2,1-2H3
InChIKeyIVMTVUVGSHOPIJ-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.71
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide (PubChem CID 33258382) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide
PubChem CID33258382
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H21ClN4O/c1-16-21(11-19-10-20(24)8-9-22(19)26-16)23(29)27(2)13-18-12-25-28(15-18)14-17-6-4-3-5-7-17/h3-12,15H,13-14H2,1-2H3
InChIKeyIVMTVUVGSHOPIJ-UHFFFAOYSA-N
XLogP4.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 36933832
6-chloro-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-3-carboxamide
CID 41377691
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136
N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide
CID 31798787
N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46650100
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide
CID 31798884
N-[(1-benzylpyrazol-4-yl)methyl]-5-chloro-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 31798730
N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30297754
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
6-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 43036888

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide (CID 33258382) is N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is IVMTVUVGSHOPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-16-21(11-19-10-20(24)8-9-22(19)26-16)23(29)27(2)13-18-12-25-28(15-18)14-17-6-4-3-5-7-17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 33258382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).