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

C21H17N3O — CID 719282

IUPACN-(2-methoxyphenyl)-2-phenylquinazolin-4-amine
SMILESCOc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H17N3O/c1-25-19-14-8-7-13-18(19)23-21-16-11-5-6-12-17(16)22-20(24-21)15-9-3-2-4-10-15/h2-14H,1H3,(H,22,23,24)
InChIKeyKKQJHHJKFWMYKZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.05
Rot. Bonds4

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

N-(2-methoxyphenyl)-2-phenylquinazolin-4-amine (PubChem CID 719282) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-phenylquinazolin-4-amine
PubChem CID719282
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC NameN-(2-methoxyphenyl)-2-phenylquinazolin-4-amine
SMILESCOc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H17N3O/c1-25-19-14-8-7-13-18(19)23-21-16-11-5-6-12-17(16)22-20(24-21)15-9-3-2-4-10-15/h2-14H,1H3,(H,22,23,24)
InChIKeyKKQJHHJKFWMYKZ-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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Related Compounds

Verubulin
CID 11414799
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
8-Methoxyquinolin-2-amine
CID 22266820
6,7-dimethoxy-N~2~-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine
CID 15990109
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-phenylquinazolin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-2-phenylquinazolin-4-amine (CID 719282) is N-(2-methoxyphenyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-2-phenylquinazolin-4-amine is COc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(2-methoxyphenyl)-2-phenylquinazolin-4-amine?
The InChIKey is KKQJHHJKFWMYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-19-14-8-7-13-18(19)23-21-16-11-5-6-12-17(16)22-20(24-21)15-9-3-2-4-10-15/h2-14H,1H3,(H,22,23,24).
What are the key properties of N-(2-methoxyphenyl)-2-phenylquinazolin-4-amine?
N-(2-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-(2-methoxyphenyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 719282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).