3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one

C10H9Cl2N3O — CID 117263724

IUPAC3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
SMILESNCCn1c(Cl)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C10H9Cl2N3O/c11-6-2-1-3-7-8(6)9(16)15(5-4-13)10(12)14-7/h1-3H,4-5,13H2
InChIKeyBEFKCFUJNRPBMJ-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.66
Rot. Bonds2

About 3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one

3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one (PubChem CID 117263724) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
PubChem CID117263724
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
SMILESNCCn1c(Cl)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C10H9Cl2N3O/c11-6-2-1-3-7-8(6)9(16)15(5-4-13)10(12)14-7/h1-3H,4-5,13H2
InChIKeyBEFKCFUJNRPBMJ-UHFFFAOYSA-N
XLogP1.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminoethyl)-2,5-dichloroquinazolin-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-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
CID 117263802
3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
CID 117263425
2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117263733
2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one
CID 118573947
2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 155000155
3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide
CID 118574062
2-(1-aminoethyl)-5-chloro-3-(3-methoxy-3-methylbutyl)quinazolin-4-one
CID 118574153
2-(3,4-dichloroindazol-2-yl)ethanamine
CID 84726220
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
2-(1-aminoethyl)-5-chloro-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 118573634
3-(5-chloro-4-oxoquinazolin-3-yl)propanoic acid
CID 117263812

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one?
The IUPAC name of 3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one (CID 117263724) is 3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one is NCCn1c(Cl)nc2cccc(Cl)c2c1=O.
What is the InChIKey of 3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one?
The InChIKey is BEFKCFUJNRPBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c11-6-2-1-3-7-8(6)9(16)15(5-4-13)10(12)14-7/h1-3H,4-5,13H2.
What are the key properties of 3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one?
3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one has a molecular weight of 258.11 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one is sourced from PubChem (CID 117263724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).