2,6-dichloro-4-pyrrolidin-1-ylquinazoline

C12H11Cl2N3 — CID 114692901

IUPAC2,6-dichloro-4-pyrrolidin-1-ylquinazoline
SMILESClc1ccc2nc(Cl)nc(N3CCCC3)c2c1
InChIInChI=1S/C12H11Cl2N3/c13-8-3-4-10-9(7-8)11(16-12(14)15-10)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2
InChIKeySWAZWIWPSPQCED-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.54
Rot. Bonds1

About 2,6-dichloro-4-pyrrolidin-1-ylquinazoline

2,6-dichloro-4-pyrrolidin-1-ylquinazoline (PubChem CID 114692901) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2,6-dichloro-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name2,6-dichloro-4-pyrrolidin-1-ylquinazoline
PubChem CID114692901
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2,6-dichloro-4-pyrrolidin-1-ylquinazoline
SMILESClc1ccc2nc(Cl)nc(N3CCCC3)c2c1
InChIInChI=1S/C12H11Cl2N3/c13-8-3-4-10-9(7-8)11(16-12(14)15-10)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2
InChIKeySWAZWIWPSPQCED-UHFFFAOYSA-N
XLogP3.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6-dichloro-4-pyrrolidin-1-ylquinazoline 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

7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693019
N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide
CID 42322477
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914636
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114692806
5-chloro-3-pyrrolidin-1-yl-1H-indazole
CID 86133724
6-chloro-3-(6-chloro-4-phenylquinolin-2-yl)-4-phenyl-2-piperidin-1-ylquinoline
CID 3119270
1-(6-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone
CID 2834583
2,6-dichloro-4-[(2,6-dichloroquinazolin-4-yl)diselanyl]quinazoline
CID 71496121
4-(azepan-1-yl)-6-chloroquinoline
CID 110434360
6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline
CID 91938161
N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
CID 42485107

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 2,6-dichloro-4-pyrrolidin-1-ylquinazoline (CID 114692901) is 2,6-dichloro-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 2,6-dichloro-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 2,6-dichloro-4-pyrrolidin-1-ylquinazoline is Clc1ccc2nc(Cl)nc(N3CCCC3)c2c1.
What is the InChIKey of 2,6-dichloro-4-pyrrolidin-1-ylquinazoline?
The InChIKey is SWAZWIWPSPQCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c13-8-3-4-10-9(7-8)11(16-12(14)15-10)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2.
What are the key properties of 2,6-dichloro-4-pyrrolidin-1-ylquinazoline?
2,6-dichloro-4-pyrrolidin-1-ylquinazoline has a molecular weight of 268.15 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 114692901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).