N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide

C23H22N4O3 — CID 27649177

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)nc2c1
InChIInChI=1S/C23H22N4O3/c1-14-19(12-16-10-11-18(30-4)13-20(16)24-14)22(28)25-21-15(2)26(3)27(23(21)29)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,25,28)
InChIKeySJUNMKWJANPOFH-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.60
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 27649177) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID27649177
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)nc2c1
InChIInChI=1S/C23H22N4O3/c1-14-19(12-16-10-11-18(30-4)13-20(16)24-14)22(28)25-21-15(2)26(3)27(23(21)29)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,25,28)
InChIKeySJUNMKWJANPOFH-UHFFFAOYSA-N
XLogP3.60
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-4-carboxamide
CID 1220849
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methoxynaphthalene-2-carboxamide
CID 1035119
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36978519
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 95247392
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 35807692
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31882555
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-3-carboxamide
CID 4555022
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 1497145
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2112077
1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 46612038
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 981598

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide (CID 27649177) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)nc2c1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is SJUNMKWJANPOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-14-19(12-16-10-11-18(30-4)13-20(16)24-14)22(28)25-21-15(2)26(3)27(23(21)29)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,25,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 27649177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).