2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine

C17H16ClN3 — CID 64981585

IUPAC2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine
SMILESCCNc1nc(-c2ccc(Cl)cc2)nc2ccc(C)cc12
InChIInChI=1S/C17H16ClN3/c1-3-19-17-14-10-11(2)4-9-15(14)20-16(21-17)12-5-7-13(18)8-6-12/h4-10H,3H2,1-2H3,(H,19,20,21)
InChIKeyJSPDCYWMYPXXQB-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.69
Rot. Bonds3

About 2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine

2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine (PubChem CID 64981585) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine
PubChem CID64981585
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine
SMILESCCNc1nc(-c2ccc(Cl)cc2)nc2ccc(C)cc12
InChIInChI=1S/C17H16ClN3/c1-3-19-17-14-10-11(2)4-9-15(14)20-16(21-17)12-5-7-13(18)8-6-12/h4-10H,3H2,1-2H3,(H,19,20,21)
InChIKeyJSPDCYWMYPXXQB-UHFFFAOYSA-N
XLogP4.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine (CID 64981585) is 2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine is CCNc1nc(-c2ccc(Cl)cc2)nc2ccc(C)cc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine?
The InChIKey is JSPDCYWMYPXXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-3-19-17-14-10-11(2)4-9-15(14)20-16(21-17)12-5-7-13(18)8-6-12/h4-10H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine?
2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine has a molecular weight of 297.79 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine is sourced from PubChem (CID 64981585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).