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

C16H13ClN2O3 — CID 136703861

IUPAC6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(OCCO)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H13ClN2O3/c17-11-3-6-14-13(9-11)16(21)19-15(18-14)10-1-4-12(5-2-10)22-8-7-20/h1-6,9,20H,7-8H2,(H,18,19,21)
InChIKeyXCCWLAHJYIVMQF-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.61
Rot. Bonds4

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

6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 136703861) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one
PubChem CID136703861
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(OCCO)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H13ClN2O3/c17-11-3-6-14-13(9-11)16(21)19-15(18-14)10-1-4-12(5-2-10)22-8-7-20/h1-6,9,20H,7-8H2,(H,18,19,21)
InChIKeyXCCWLAHJYIVMQF-UHFFFAOYSA-N
XLogP2.61
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
CID 136703862
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137085110
6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one
CID 167985488
2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
CID 45408654
2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol
CID 103597094
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137045271
4-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]butanenitrile
CID 168552456
6-chloro-2-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135570353
2,6-dichloro-3H-quinazolin-4-one
CID 135742281

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one (CID 136703861) is 6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(OCCO)cc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is XCCWLAHJYIVMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c17-11-3-6-14-13(9-11)16(21)19-15(18-14)10-1-4-12(5-2-10)22-8-7-20/h1-6,9,20H,7-8H2,(H,18,19,21).
What are the key properties of 6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one?
6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 316.74 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136703861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).