N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide

C26H25ClN4O2 — CID 42397899

IUPACN-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc2cc(CN(C(=O)c3cc(C)nn3C)C3CC3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C26H25ClN4O2/c1-16-12-24(30(2)29-16)26(32)31(21-9-10-21)15-19-13-18-6-11-22(33-3)14-23(18)28-25(19)17-4-7-20(27)8-5-17/h4-8,11-14,21H,9-10,15H2,1-3H3
InChIKeyUMCFQCHNBXNXCC-UHFFFAOYSA-N
MW460.97 g/mol
LogP5.41
Rot. Bonds6

About N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide

N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 42397899) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
PubChem CID42397899
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC NameN-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc2cc(CN(C(=O)c3cc(C)nn3C)C3CC3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C26H25ClN4O2/c1-16-12-24(30(2)29-16)26(32)31(21-9-10-21)15-19-13-18-6-11-22(33-3)14-23(18)28-25(19)17-4-7-20(27)8-5-17/h4-8,11-14,21H,9-10,15H2,1-3H3
InChIKeyUMCFQCHNBXNXCC-UHFFFAOYSA-N
XLogP5.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.97
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 42484022
(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95862955
1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
CID 70785675
[(2S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 70732351
N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 42484326
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42277304
N-[[2-chloro-5-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 57434909
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420994
N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66129017
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
CID 42417365
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42451188

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide (CID 42397899) is N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide is COc1ccc2cc(CN(C(=O)c3cc(C)nn3C)C3CC3)c(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is UMCFQCHNBXNXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c1-16-12-24(30(2)29-16)26(32)31(21-9-10-21)15-19-13-18-6-11-22(33-3)14-23(18)28-25(19)17-4-7-20(27)8-5-17/h4-8,11-14,21H,9-10,15H2,1-3H3.
What are the key properties of N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide?
N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 460.97 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 42397899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).