2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine

C15H12ClIN4O — CID 162761816

IUPAC2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine
SMILESCOc1cc2c(NCc3ccncc3)nc(Cl)nc2cc1I
InChIInChI=1S/C15H12ClIN4O/c1-22-13-6-10-12(7-11(13)17)20-15(16)21-14(10)19-8-9-2-4-18-5-3-9/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyBIZJMBIAAXVCLR-UHFFFAOYSA-N
MW426.65 g/mol
LogP3.90
Rot. Bonds4

About 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine

2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine (PubChem CID 162761816) has the molecular formula C15H12ClIN4O and a molecular weight of 426.65 g/mol. Its IUPAC name is 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine
PubChem CID162761816
Molecular FormulaC15H12ClIN4O
Molecular Weight426.65 g/mol
Exact Mass425.97
IUPAC Name2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine
SMILESCOc1cc2c(NCc3ccncc3)nc(Cl)nc2cc1I
InChIInChI=1S/C15H12ClIN4O/c1-22-13-6-10-12(7-11(13)17)20-15(16)21-14(10)19-8-9-2-4-18-5-3-9/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyBIZJMBIAAXVCLR-UHFFFAOYSA-N
XLogP3.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine 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 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine (CID 162761816) is 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine is COc1cc2c(NCc3ccncc3)nc(Cl)nc2cc1I.
What is the InChIKey of 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The InChIKey is BIZJMBIAAXVCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN4O/c1-22-13-6-10-12(7-11(13)17)20-15(16)21-14(10)19-8-9-2-4-18-5-3-9/h2-7H,8H2,1H3,(H,19,20,21).
What are the key properties of 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine has a molecular weight of 426.65 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-iodo-6-methoxy-N-(pyridin-4-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 162761816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).