7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

C20H22N4O — CID 20919266

IUPAC7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cnn3c4c(cnc23)CC(C)CC4)c1
InChIInChI=1S/C20H22N4O/c1-13-4-3-5-15(8-13)10-22-20(25)17-12-23-24-18-7-6-14(2)9-16(18)11-21-19(17)24/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,22,25)
InChIKeyHMWAHHHWIMIDNW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.09
Rot. Bonds3

About 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 20919266) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID20919266
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cnn3c4c(cnc23)CC(C)CC4)c1
InChIInChI=1S/C20H22N4O/c1-13-4-3-5-15(8-13)10-22-20(25)17-12-23-24-18-7-6-14(2)9-16(18)11-21-19(17)24/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,22,25)
InChIKeyHMWAHHHWIMIDNW-UHFFFAOYSA-N
XLogP3.09
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-7-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919271
N-[(2-methoxyphenyl)methyl]-7-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919270
7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919274
N-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919208
N-[(4-fluorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919334
N-(1,3-benzodioxol-5-ylmethyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919369
N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919240
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 20908838
N-(thiophen-2-ylmethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919339
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 20919266) is 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is Cc1cccc(CNC(=O)c2cnn3c4c(cnc23)CC(C)CC4)c1.
What is the InChIKey of 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is HMWAHHHWIMIDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-4-3-5-15(8-13)10-22-20(25)17-12-23-24-18-7-6-14(2)9-16(18)11-21-19(17)24/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,22,25).
What are the key properties of 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(3-methylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 20919266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).