(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one

C17H18N2O3 — CID 1109453

IUPAC(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
SMILESCOc1cc([C@@H]2N(C)C(=O)c3ccccc3N2C)ccc1O
InChIInChI=1S/C17H18N2O3/c1-18-13-7-5-4-6-12(13)17(21)19(2)16(18)11-8-9-14(20)15(10-11)22-3/h4-10,16,20H,1-3H3/t16-/m0/s1
InChIKeyDGCZRGXXRVTDTM-INIZCTEOSA-N
MW298.34 g/mol
LogP2.62
Rot. Bonds2

About (2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one

(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one (PubChem CID 1109453) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
PubChem CID1109453
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
SMILESCOc1cc([C@@H]2N(C)C(=O)c3ccccc3N2C)ccc1O
InChIInChI=1S/C17H18N2O3/c1-18-13-7-5-4-6-12(13)17(21)19(2)16(18)11-8-9-14(20)15(10-11)22-3/h4-10,16,20H,1-3H3/t16-/m0/s1
InChIKeyDGCZRGXXRVTDTM-INIZCTEOSA-N
XLogP2.62
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7386974
(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7106412
5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol
CID 914373
2-(3,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
CID 42937123
2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121410
2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 55598140
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
CID 25343997
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 55599170
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 46613480
5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 4689309
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The IUPAC name of (2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one (CID 1109453) is (2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one is COc1cc([C@@H]2N(C)C(=O)c3ccccc3N2C)ccc1O.
What is the InChIKey of (2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
The InChIKey is DGCZRGXXRVTDTM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18-13-7-5-4-6-12(13)17(21)19(2)16(18)11-8-9-14(20)15(10-11)22-3/h4-10,16,20H,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one?
(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one has a molecular weight of 298.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one is sourced from PubChem (CID 1109453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).