2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide

C23H19Cl2N5O2 — CID 108769282

IUPAC2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide
SMILESCc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)n(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C23H19Cl2N5O2/c1-13-9-20(27-19-6-4-3-5-16(13)19)30-21(10-14(2)29-30)28-22(31)12-26-23(32)17-8-7-15(24)11-18(17)25/h3-11H,12H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyPGCURQRZFFRTLS-UHFFFAOYSA-N
MW468.34 g/mol
LogP4.71
Rot. Bonds5

About 2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 108769282) has the molecular formula C23H19Cl2N5O2 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID108769282
Molecular FormulaC23H19Cl2N5O2
Molecular Weight468.34 g/mol
Exact Mass467.09
IUPAC Name2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide
SMILESCc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)n(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C23H19Cl2N5O2/c1-13-9-20(27-19-6-4-3-5-16(13)19)30-21(10-14(2)29-30)28-22(31)12-26-23(32)17-8-7-15(24)11-18(17)25/h3-11H,12H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyPGCURQRZFFRTLS-UHFFFAOYSA-N
XLogP4.71
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea
CID 108747189
4-(4-methoxyphenyl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108747214
5-methyl-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]furan-2-carboxamide
CID 108747229
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide
CID 108800493
2,4-dichloro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 24637845
2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide
CID 108753739
2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769235
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide
CID 18283329
2,4-dichloro-N-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108765876

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide (CID 108769282) is 2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide is Cc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)n(-c2cc(C)c3ccccc3n2)n1.
What is the InChIKey of 2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is PGCURQRZFFRTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O2/c1-13-9-20(27-19-6-4-3-5-16(13)19)30-21(10-14(2)29-30)28-22(31)12-26-23(32)17-8-7-15(24)11-18(17)25/h3-11H,12H2,1-2H3,(H,26,32)(H,28,31).
What are the key properties of 2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 468.34 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108769282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).