6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride

C18H15Cl3N4O — CID 45261668

IUPAC6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc2nc(-c3cccnc3)nc(NCc3ccco3)c2c1
InChIInChI=1S/C18H13ClN4O.2ClH/c19-13-5-6-16-15(9-13)18(21-11-14-4-2-8-24-14)23-17(22-16)12-3-1-7-20-10-12;;/h1-10H,11H2,(H,21,22,23);2*1H
InChIKeySAFWNLMBRBOQSQ-UHFFFAOYSA-N
MW409.70 g/mol
LogP5.39
Rot. Bonds4

About 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride

6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride (PubChem CID 45261668) has the molecular formula C18H15Cl3N4O and a molecular weight of 409.70 g/mol. Its IUPAC name is 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
PubChem CID45261668
Molecular FormulaC18H15Cl3N4O
Molecular Weight409.70 g/mol
Exact Mass408.03
IUPAC Name6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc2nc(-c3cccnc3)nc(NCc3ccco3)c2c1
InChIInChI=1S/C18H13ClN4O.2ClH/c19-13-5-6-16-15(9-13)18(21-11-14-4-2-8-24-14)23-17(22-16)12-3-1-7-20-10-12;;/h1-10H,11H2,(H,21,22,23);2*1H
InChIKeySAFWNLMBRBOQSQ-UHFFFAOYSA-N
XLogP5.39
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride 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 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride?
The IUPAC name of 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride (CID 45261668) is 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride.
What is the SMILES notation for 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride?
The canonical SMILES for 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride is Cl.Cl.Clc1ccc2nc(-c3cccnc3)nc(NCc3ccco3)c2c1.
What is the InChIKey of 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride?
The InChIKey is SAFWNLMBRBOQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O.2ClH/c19-13-5-6-16-15(9-13)18(21-11-14-4-2-8-24-14)23-17(22-16)12-3-1-7-20-10-12;;/h1-10H,11H2,(H,21,22,23);2*1H.
What are the key properties of 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride?
6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride has a molecular weight of 409.70 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride is sourced from PubChem (CID 45261668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).