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

C21H17N3O — CID 4841865

IUPACN-(3-methoxyphenyl)-2-phenylquinazolin-4-amine
SMILESCOc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H17N3O/c1-25-17-11-7-10-16(14-17)22-21-18-12-5-6-13-19(18)23-20(24-21)15-8-3-2-4-9-15/h2-14H,1H3,(H,22,23,24)
InChIKeyGSIQYCKOUGIZQC-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.05
Rot. Bonds4

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

N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine (PubChem CID 4841865) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-phenylquinazolin-4-amine
PubChem CID4841865
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC NameN-(3-methoxyphenyl)-2-phenylquinazolin-4-amine
SMILESCOc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H17N3O/c1-25-17-11-7-10-16(14-17)22-21-18-12-5-6-13-19(18)23-20(24-21)15-8-3-2-4-9-15/h2-14H,1H3,(H,22,23,24)
InChIKeyGSIQYCKOUGIZQC-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 N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine (CID 4841865) is N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine is COc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine?
The InChIKey is GSIQYCKOUGIZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-17-11-7-10-16(14-17)22-21-18-12-5-6-13-19(18)23-20(24-21)15-8-3-2-4-9-15/h2-14H,1H3,(H,22,23,24).
What are the key properties of N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine?
N-(3-methoxyphenyl)-2-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 N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 4841865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).