2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine

C15H11Cl2N3 — CID 11312741

IUPAC2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine
SMILESCN(c1ccc(Cl)cc1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H11Cl2N3/c1-20(11-8-6-10(16)7-9-11)14-12-4-2-3-5-13(12)18-15(17)19-14/h2-9H,1H3
InChIKeyXYRVBFJQGKLWQK-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.70
Rot. Bonds2

About 2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine

2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine (PubChem CID 11312741) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine
PubChem CID11312741
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine
SMILESCN(c1ccc(Cl)cc1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H11Cl2N3/c1-20(11-8-6-10(16)7-9-11)14-12-4-2-3-5-13(12)18-15(17)19-14/h2-9H,1H3
InChIKeyXYRVBFJQGKLWQK-UHFFFAOYSA-N
XLogP4.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine (CID 11312741) is 2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine is CN(c1ccc(Cl)cc1)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine?
The InChIKey is XYRVBFJQGKLWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c1-20(11-8-6-10(16)7-9-11)14-12-4-2-3-5-13(12)18-15(17)19-14/h2-9H,1H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine?
2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine has a molecular weight of 304.18 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 11312741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).