7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one

C12H14ClN3O2 — CID 155899144

IUPAC7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
SMILESCN(C)c1nc(=O)n(CCO)c2cc(Cl)ccc12
InChIInChI=1S/C12H14ClN3O2/c1-15(2)11-9-4-3-8(13)7-10(9)16(5-6-17)12(18)14-11/h3-4,7,17H,5-6H2,1-2H3
InChIKeyFJRUQGUWEHZXSI-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.11
Rot. Bonds3

About 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one

7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one (PubChem CID 155899144) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
PubChem CID155899144
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
SMILESCN(C)c1nc(=O)n(CCO)c2cc(Cl)ccc12
InChIInChI=1S/C12H14ClN3O2/c1-15(2)11-9-4-3-8(13)7-10(9)16(5-6-17)12(18)14-11/h3-4,7,17H,5-6H2,1-2H3
InChIKeyFJRUQGUWEHZXSI-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one?
The IUPAC name of 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one (CID 155899144) is 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one?
The canonical SMILES for 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one is CN(C)c1nc(=O)n(CCO)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one?
The InChIKey is FJRUQGUWEHZXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-15(2)11-9-4-3-8(13)7-10(9)16(5-6-17)12(18)14-11/h3-4,7,17H,5-6H2,1-2H3.
What are the key properties of 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one?
7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one has a molecular weight of 267.72 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one is sourced from PubChem (CID 155899144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).