2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine

C16H14ClN3O — CID 64983776

IUPAC2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine
SMILESCOc1cc(Cl)ccc1-c1nc(N)c2cc(C)ccc2n1
InChIInChI=1S/C16H14ClN3O/c1-9-3-6-13-12(7-9)15(18)20-16(19-13)11-5-4-10(17)8-14(11)21-2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyAMKHSLYMGCURMI-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.85
Rot. Bonds2

About 2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine

2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine (PubChem CID 64983776) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine
PubChem CID64983776
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine
SMILESCOc1cc(Cl)ccc1-c1nc(N)c2cc(C)ccc2n1
InChIInChI=1S/C16H14ClN3O/c1-9-3-6-13-12(7-9)15(18)20-16(19-13)11-5-4-10(17)8-14(11)21-2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyAMKHSLYMGCURMI-UHFFFAOYSA-N
XLogP3.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine (CID 64983776) is 2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine is COc1cc(Cl)ccc1-c1nc(N)c2cc(C)ccc2n1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine?
The InChIKey is AMKHSLYMGCURMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-9-3-6-13-12(7-9)15(18)20-16(19-13)11-5-4-10(17)8-14(11)21-2/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine?
2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine has a molecular weight of 299.76 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine is sourced from PubChem (CID 64983776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).