8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one

C18H18ClN3O — CID 22484710

IUPAC8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one
SMILESCNC(C)Cn1c(-c2ccccc2)nc2c(Cl)cccc2c1=O
InChIInChI=1S/C18H18ClN3O/c1-12(20-2)11-22-17(13-7-4-3-5-8-13)21-16-14(18(22)23)9-6-10-15(16)19/h3-10,12,20H,11H2,1-2H3
InChIKeyUCCLYTPPFMDIQZ-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.32
Rot. Bonds4

About 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one

8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one (PubChem CID 22484710) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one
PubChem CID22484710
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one
SMILESCNC(C)Cn1c(-c2ccccc2)nc2c(Cl)cccc2c1=O
InChIInChI=1S/C18H18ClN3O/c1-12(20-2)11-22-17(13-7-4-3-5-8-13)21-16-14(18(22)23)9-6-10-15(16)19/h3-10,12,20H,11H2,1-2H3
InChIKeyUCCLYTPPFMDIQZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-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 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one?
The IUPAC name of 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one (CID 22484710) is 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one.
What is the SMILES notation for 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one?
The canonical SMILES for 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one is CNC(C)Cn1c(-c2ccccc2)nc2c(Cl)cccc2c1=O.
What is the InChIKey of 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one?
The InChIKey is UCCLYTPPFMDIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-12(20-2)11-22-17(13-7-4-3-5-8-13)21-16-14(18(22)23)9-6-10-15(16)19/h3-10,12,20H,11H2,1-2H3.
What are the key properties of 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one?
8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one has a molecular weight of 327.81 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one is sourced from PubChem (CID 22484710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).