N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine

C22H19N3O — CID 948705

IUPACN-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C22H19N3O/c1-15-11-12-20-19(13-15)21(16-7-4-3-5-8-16)25-22(24-20)23-17-9-6-10-18(14-17)26-2/h3-14H,1-2H3,(H,23,24,25)
InChIKeyHIFLRTXPVVDUDK-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.36
Rot. Bonds4

About N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine

N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine (PubChem CID 948705) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine
PubChem CID948705
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C22H19N3O/c1-15-11-12-20-19(13-15)21(16-7-4-3-5-8-16)25-22(24-20)23-17-9-6-10-18(14-17)26-2/h3-14H,1-2H3,(H,23,24,25)
InChIKeyHIFLRTXPVVDUDK-UHFFFAOYSA-N
XLogP5.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine (CID 948705) is N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine is COc1cccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine?
The InChIKey is HIFLRTXPVVDUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-11-12-20-19(13-15)21(16-7-4-3-5-8-16)25-22(24-20)23-17-9-6-10-18(14-17)26-2/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine?
N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine has a molecular weight of 341.41 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine is sourced from PubChem (CID 948705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).