2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one

C19H20N2O2 — CID 137047904

IUPAC2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one
SMILESCc1cc(C)c2nc(-c3ccc(C(C)(C)O)cc3)[nH]c(=O)c2c1
InChIInChI=1S/C19H20N2O2/c1-11-9-12(2)16-15(10-11)18(22)21-17(20-16)13-5-7-14(8-6-13)19(3,4)23/h5-10,23H,1-4H3,(H,20,21,22)
InChIKeyNEBLGUMKHKWVDT-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.43
Rot. Bonds2

About 2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one

2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one (PubChem CID 137047904) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one
PubChem CID137047904
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one
SMILESCc1cc(C)c2nc(-c3ccc(C(C)(C)O)cc3)[nH]c(=O)c2c1
InChIInChI=1S/C19H20N2O2/c1-11-9-12(2)16-15(10-11)18(22)21-17(20-16)13-5-7-14(8-6-13)19(3,4)23/h5-10,23H,1-4H3,(H,20,21,22)
InChIKeyNEBLGUMKHKWVDT-UHFFFAOYSA-N
XLogP3.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
2-(4-tert-butylphenyl)-8-nitro-3H-quinazolin-4-one
CID 172677792
2-[3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methyl-3H-quinazolin-4-one
CID 137108961
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135513721
2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
CID 82946949
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488
2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
CID 136703862
8-methyl-2-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 137108978
(4-tert-butylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648216

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one (CID 137047904) is 2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one is Cc1cc(C)c2nc(-c3ccc(C(C)(C)O)cc3)[nH]c(=O)c2c1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one?
The InChIKey is NEBLGUMKHKWVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-11-9-12(2)16-15(10-11)18(22)21-17(20-16)13-5-7-14(8-6-13)19(3,4)23/h5-10,23H,1-4H3,(H,20,21,22).
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one?
2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one has a molecular weight of 308.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)phenyl]-6,8-dimethyl-3H-quinazolin-4-one is sourced from PubChem (CID 137047904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).