N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

C21H22N4O2 — CID 53097599

IUPACN-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnn3c4c(cnc23)C(=O)CC(C)(C)C4)c1C
InChIInChI=1S/C21H22N4O2/c1-12-6-5-7-16(13(12)2)24-20(27)15-11-23-25-17-8-21(3,4)9-18(26)14(17)10-22-19(15)25/h5-7,10-11H,8-9H2,1-4H3,(H,24,27)
InChIKeyQMXBVQWRCROXBF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.75
Rot. Bonds2

About N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 53097599) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID53097599
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnn3c4c(cnc23)C(=O)CC(C)(C)C4)c1C
InChIInChI=1S/C21H22N4O2/c1-12-6-5-7-16(13(12)2)24-20(27)15-11-23-25-17-8-21(3,4)9-18(26)14(17)10-22-19(15)25/h5-7,10-11H,8-9H2,1-4H3,(H,24,27)
InChIKeyQMXBVQWRCROXBF-UHFFFAOYSA-N
XLogP3.75
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 22587293
8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 22587290
N-(3-ethoxypropyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 53097644
7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416183
8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 95081155
N-(3-chloro-2-methylphenyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919318
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
(9R)-6,6-dimethyl-N-(2-methylphenyl)-9-(3-methylphenyl)-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136777332
5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109271849
N-(2,5-dimethylphenyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919319
2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347045
N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 53080190

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 53097599) is N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is Cc1cccc(NC(=O)c2cnn3c4c(cnc23)C(=O)CC(C)(C)C4)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is QMXBVQWRCROXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-12-6-5-7-16(13(12)2)24-20(27)15-11-23-25-17-8-21(3,4)9-18(26)14(17)10-22-19(15)25/h5-7,10-11H,8-9H2,1-4H3,(H,24,27).
What are the key properties of N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 53097599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).