1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide

C22H26N4O2 — CID 25249544

IUPAC1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide
SMILESCc1ccccc1C1CC(=O)c2c(C)nc(N3CCC(C(N)=O)CC3)nc2C1
InChIInChI=1S/C22H26N4O2/c1-13-5-3-4-6-17(13)16-11-18-20(19(27)12-16)14(2)24-22(25-18)26-9-7-15(8-10-26)21(23)28/h3-6,15-16H,7-12H2,1-2H3,(H2,23,28)
InChIKeyKTFJUNJSALZAGN-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.71
Rot. Bonds3

About 1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide

1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide (PubChem CID 25249544) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide
PubChem CID25249544
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide
SMILESCc1ccccc1C1CC(=O)c2c(C)nc(N3CCC(C(N)=O)CC3)nc2C1
InChIInChI=1S/C22H26N4O2/c1-13-5-3-4-6-17(13)16-11-18-20(19(27)12-16)14(2)24-22(25-18)26-9-7-15(8-10-26)21(23)28/h3-6,15-16H,7-12H2,1-2H3,(H2,23,28)
InChIKeyKTFJUNJSALZAGN-UHFFFAOYSA-N
XLogP2.71
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide (CID 25249544) is 1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide is Cc1ccccc1C1CC(=O)c2c(C)nc(N3CCC(C(N)=O)CC3)nc2C1.
What is the InChIKey of 1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide?
The InChIKey is KTFJUNJSALZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13-5-3-4-6-17(13)16-11-18-20(19(27)12-16)14(2)24-22(25-18)26-9-7-15(8-10-26)21(23)28/h3-6,15-16H,7-12H2,1-2H3,(H2,23,28).
What are the key properties of 1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide?
1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 25249544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).