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

C21H18ClN3O — CID 45264997

IUPACN-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride
SMILESCOc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1.Cl
InChIInChI=1S/C21H17N3O.ClH/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);1H
InChIKeyWQVLHUWMFWEKIE-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.47
Rot. Bonds4

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

N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride (PubChem CID 45264997) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride
PubChem CID45264997
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC NameN-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride
SMILESCOc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1.Cl
InChIInChI=1S/C21H17N3O.ClH/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);1H
InChIKeyWQVLHUWMFWEKIE-UHFFFAOYSA-N
XLogP5.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.47
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;hydrochloride?
The IUPAC name of N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride (CID 45264997) is N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride is COc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1.Cl.
What is the InChIKey of N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride?
The InChIKey is WQVLHUWMFWEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O.ClH/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);1H.
What are the key properties of N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride?
N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 5.47, 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;hydrochloride is sourced from PubChem (CID 45264997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).