3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide

C22H22N4O2 — CID 50966036

IUPAC3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cc3c(cc2C)C(c2cnn(C)c2)CC(=O)N3)c1
InChIInChI=1S/C22H22N4O2/c1-13-5-4-6-15(7-13)22(28)25-19-10-20-18(8-14(19)2)17(9-21(27)24-20)16-11-23-26(3)12-16/h4-8,10-12,17H,9H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyUIJLXDXCGRCPOL-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.76
Rot. Bonds3

About 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide

3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide (PubChem CID 50966036) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide
PubChem CID50966036
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cc3c(cc2C)C(c2cnn(C)c2)CC(=O)N3)c1
InChIInChI=1S/C22H22N4O2/c1-13-5-4-6-15(7-13)22(28)25-19-10-20-18(8-14(19)2)17(9-21(27)24-20)16-11-23-26(3)12-16/h4-8,10-12,17H,9H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyUIJLXDXCGRCPOL-UHFFFAOYSA-N
XLogP3.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide with MolForge

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Related Compounds

2-methoxy-N-[6-methoxy-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169420804
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 171912632
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide
CID 31921008
2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169411713
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
CID 706309
(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 673218
N-[4-(4-ethylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methylbenzamide
CID 20905362
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide?
The IUPAC name of 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide (CID 50966036) is 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide?
The canonical SMILES for 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide is Cc1cccc(C(=O)Nc2cc3c(cc2C)C(c2cnn(C)c2)CC(=O)N3)c1.
What is the InChIKey of 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide?
The InChIKey is UIJLXDXCGRCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-5-4-6-15(7-13)22(28)25-19-10-20-18(8-14(19)2)17(9-21(27)24-20)16-11-23-26(3)12-16/h4-8,10-12,17H,9H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide?
3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide is sourced from PubChem (CID 50966036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).