3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one

C23H27N3O — CID 58187231

IUPAC3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)C1CCCC1
InChIInChI=1S/C23H27N3O/c1-16-24-21-14-13-19(25(2)3)15-20(21)23(27)26(16)22(18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,13-15,18,22H,7-8,11-12H2,1-3H3
InChIKeyXZCJEEZMRBLZRI-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.55
Rot. Bonds4

About 3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one

3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one (PubChem CID 58187231) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one
PubChem CID58187231
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)C1CCCC1
InChIInChI=1S/C23H27N3O/c1-16-24-21-14-13-19(25(2)3)15-20(21)23(27)26(16)22(18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,13-15,18,22H,7-8,11-12H2,1-3H3
InChIKeyXZCJEEZMRBLZRI-UHFFFAOYSA-N
XLogP4.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one?
The IUPAC name of 3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one (CID 58187231) is 3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one?
The canonical SMILES for 3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one is Cc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one?
The InChIKey is XZCJEEZMRBLZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-24-21-14-13-19(25(2)3)15-20(21)23(27)26(16)22(18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,13-15,18,22H,7-8,11-12H2,1-3H3.
What are the key properties of 3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one?
3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one has a molecular weight of 361.49 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(phenyl)methyl]-6-(dimethylamino)-2-methylquinazolin-4-one is sourced from PubChem (CID 58187231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).