2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one

C20H22N2O — CID 138057456

IUPAC2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc2c(c1)C(=O)N(C)C(c1ccc(C3CCC3)cc1)N2
InChIInChI=1S/C20H22N2O/c1-13-6-11-18-17(12-13)20(23)22(2)19(21-18)16-9-7-15(8-10-16)14-4-3-5-14/h6-12,14,19,21H,3-5H2,1-2H3
InChIKeyKRTVHKBYUVKTPM-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.46
Rot. Bonds2

About 2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one

2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one (PubChem CID 138057456) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one
PubChem CID138057456
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc2c(c1)C(=O)N(C)C(c1ccc(C3CCC3)cc1)N2
InChIInChI=1S/C20H22N2O/c1-13-6-11-18-17(12-13)20(23)22(2)19(21-18)16-9-7-15(8-10-16)14-4-3-5-14/h6-12,14,19,21H,3-5H2,1-2H3
InChIKeyKRTVHKBYUVKTPM-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 11017075
10-methyl-13,13a-dihydro-6H-quinazolino[2,3-a]phthalazine-5,8-dione
CID 132538076
2-(4-cyclohexylphenyl)-4-methylaniline
CID 63424368
3,6-dimethyl-2-[2-(pyridin-3-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 167887023
carbonic acid;5-cyclobutyl-1H-indole-2,3-dione
CID 67154056
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90696873
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 71364641
(4aS,9aR)-6,10-dimethyl-1,2,3,4,4a,9a-hexahydroacridin-9-one
CID 102030447
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one (CID 138057456) is 2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one is Cc1ccc2c(c1)C(=O)N(C)C(c1ccc(C3CCC3)cc1)N2.
What is the InChIKey of 2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one?
The InChIKey is KRTVHKBYUVKTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13-6-11-18-17(12-13)20(23)22(2)19(21-18)16-9-7-15(8-10-16)14-4-3-5-14/h6-12,14,19,21H,3-5H2,1-2H3.
What are the key properties of 2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one?
2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one has a molecular weight of 306.41 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-3,6-dimethyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 138057456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).