N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine

C15H12ClN3O — CID 19595108

IUPACN-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C15H12ClN3O/c1-20-12-5-6-14-13(8-12)15(18-9-17-14)19-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,18,19)
InChIKeyJDEKFVYZUIPHET-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.04
Rot. Bonds3

About N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine

N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine (PubChem CID 19595108) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
PubChem CID19595108
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC NameN-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C15H12ClN3O/c1-20-12-5-6-14-13(8-12)15(18-9-17-14)19-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,18,19)
InChIKeyJDEKFVYZUIPHET-UHFFFAOYSA-N
XLogP4.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine (CID 19595108) is N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine is COc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine?
The InChIKey is JDEKFVYZUIPHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-20-12-5-6-14-13(8-12)15(18-9-17-14)19-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine?
N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine has a molecular weight of 285.73 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 19595108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).