2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one

C17H16N2O3 — CID 136703862

IUPAC2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3ccc(OCCO)cc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H16N2O3/c1-11-2-7-15-14(10-11)17(21)19-16(18-15)12-3-5-13(6-4-12)22-9-8-20/h2-7,10,20H,8-9H2,1H3,(H,18,19,21)
InChIKeyWHANTTYMHCYHSI-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.27
Rot. Bonds4

About 2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one

2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one (PubChem CID 136703862) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
PubChem CID136703862
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3ccc(OCCO)cc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H16N2O3/c1-11-2-7-15-14(10-11)17(21)19-16(18-15)12-3-5-13(6-4-12)22-9-8-20/h2-7,10,20H,8-9H2,1H3,(H,18,19,21)
InChIKeyWHANTTYMHCYHSI-UHFFFAOYSA-N
XLogP2.27
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one
CID 136703861
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137045271
2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol
CID 103597094
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
4-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]butanenitrile
CID 168552456
6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one
CID 172703323
6-phenoxy-2-phenyl-3H-quinazolin-4-one
CID 166196696
4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one
CID 46734906
2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one
CID 135958434

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one (CID 136703862) is 2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc(-c3ccc(OCCO)cc3)[nH]c(=O)c2c1.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one?
The InChIKey is WHANTTYMHCYHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-2-7-15-14(10-11)17(21)19-16(18-15)12-3-5-13(6-4-12)22-9-8-20/h2-7,10,20H,8-9H2,1H3,(H,18,19,21).
What are the key properties of 2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one?
2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one has a molecular weight of 296.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 136703862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).