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

C21H17N3O — CID 3234753

IUPAC6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)c1
InChIInChI=1S/C21H17N3O/c1-25-18-9-5-6-15(12-18)16-10-11-20-19(13-16)21(23-14-22-20)24-17-7-3-2-4-8-17/h2-14H,1H3,(H,22,23,24)
InChIKeyKMACGYJVKXHEGA-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.05
Rot. Bonds4

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

6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine (PubChem CID 3234753) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine
PubChem CID3234753
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)c1
InChIInChI=1S/C21H17N3O/c1-25-18-9-5-6-15(12-18)16-10-11-20-19(13-16)21(23-14-22-20)24-17-7-3-2-4-8-17/h2-14H,1H3,(H,22,23,24)
InChIKeyKMACGYJVKXHEGA-UHFFFAOYSA-N
XLogP5.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine (CID 3234753) is 6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine is COc1cccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine?
The InChIKey is KMACGYJVKXHEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-18-9-5-6-15(12-18)16-10-11-20-19(13-16)21(23-14-22-20)24-17-7-3-2-4-8-17/h2-14H,1H3,(H,22,23,24).
What are the key properties of 6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine?
6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 3234753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).