2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one

C13H13Cl2N3O — CID 117264663

IUPAC2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2cccc(Cl)c2nc(Cl)n1CC1CCNC1
InChIInChI=1S/C13H13Cl2N3O/c14-10-3-1-2-9-11(10)17-13(15)18(12(9)19)7-8-4-5-16-6-8/h1-3,8,16H,4-7H2
InChIKeyKEZFXVHYNWSPCC-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.31
Rot. Bonds2

About 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one

2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one (PubChem CID 117264663) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
PubChem CID117264663
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2cccc(Cl)c2nc(Cl)n1CC1CCNC1
InChIInChI=1S/C13H13Cl2N3O/c14-10-3-1-2-9-11(10)17-13(15)18(12(9)19)7-8-4-5-16-6-8/h1-3,8,16H,4-7H2
InChIKeyKEZFXVHYNWSPCC-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)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-chloro-8-fluoro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
CID 117264662
2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one
CID 117264638
2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117264327
5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 144977687
5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262188
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
N-benzyl-8-(2,6-dichlorophenyl)-9-[[(3S)-pyrrolidin-3-yl]methyl]purin-2-amine
CID 58155715
2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223880
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477
2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol
CID 84795466
6-(4-chlorophenyl)-2-(2-methylphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 23631195
9-[(2,6-dichlorophenyl)methyl]-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one
CID 59705256

Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one (CID 117264663) is 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one is O=c1c2cccc(Cl)c2nc(Cl)n1CC1CCNC1.
What is the InChIKey of 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one?
The InChIKey is KEZFXVHYNWSPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-10-3-1-2-9-11(10)17-13(15)18(12(9)19)7-8-4-5-16-6-8/h1-3,8,16H,4-7H2.
What are the key properties of 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one?
2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one has a molecular weight of 298.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 117264663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).