2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one

C17H16N2O3 — CID 168551469

IUPAC2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCCc1cc(OC)c(O)c(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H16N2O3/c1-3-10-8-12(15(20)14(9-10)22-2)16-18-13-7-5-4-6-11(13)17(21)19-16/h4-9,20H,3H2,1-2H3,(H,18,19,21)
InChIKeyDGCMMCQBOFZIOX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.87
Rot. Bonds3

About 2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one

2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168551469) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID168551469
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCCc1cc(OC)c(O)c(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H16N2O3/c1-3-10-8-12(15(20)14(9-10)22-2)16-18-13-7-5-4-6-11(13)17(21)19-16/h4-9,20H,3H2,1-2H3,(H,18,19,21)
InChIKeyDGCMMCQBOFZIOX-UHFFFAOYSA-N
XLogP2.87
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
CID 168551471
2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551472
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683
2-[3-bromo-2-hydroxy-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552884
2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168552065
2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 135579414
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate
CID 168552428
2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 168552022
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 168551501
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one
CID 168553345

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one (CID 168551469) is 2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one is CCc1cc(OC)c(O)c(-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is DGCMMCQBOFZIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-10-8-12(15(20)14(9-10)22-2)16-18-13-7-5-4-6-11(13)17(21)19-16/h4-9,20H,3H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one?
2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 296.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).