7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one

C18H18ClN3O2 — CID 135512159

IUPAC7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(CCOc1ccccc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C18H18ClN3O2/c1-22(9-10-24-14-5-3-2-4-6-14)12-17-20-16-11-13(19)7-8-15(16)18(23)21-17/h2-8,11H,9-10,12H2,1H3,(H,20,21,23)
InChIKeyBWVMQMURGVANLI-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.09
Rot. Bonds6

About 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one

7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135512159) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135512159
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(CCOc1ccccc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C18H18ClN3O2/c1-22(9-10-24-14-5-3-2-4-6-14)12-17-20-16-11-13(19)7-8-15(16)18(23)21-17/h2-8,11H,9-10,12H2,1H3,(H,20,21,23)
InChIKeyBWVMQMURGVANLI-UHFFFAOYSA-N
XLogP3.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one (CID 135512159) is 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one is CN(CCOc1ccccc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is BWVMQMURGVANLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-22(9-10-24-14-5-3-2-4-6-14)12-17-20-16-11-13(19)7-8-15(16)18(23)21-17/h2-8,11H,9-10,12H2,1H3,(H,20,21,23).
What are the key properties of 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 343.81 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[methyl(2-phenoxyethyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135512159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).