4-phenylquinazolin-2-amine;hydrochloride

C14H12ClN3 — CID 174298789

IUPAC4-phenylquinazolin-2-amine;hydrochloride
SMILESCl.Nc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C14H11N3.ClH/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;/h1-9H,(H2,15,16,17);1H
InChIKeyGHVRCXHRWNLGSC-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.30
Rot. Bonds1

About 4-phenylquinazolin-2-amine;hydrochloride

4-phenylquinazolin-2-amine;hydrochloride (PubChem CID 174298789) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-phenylquinazolin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-phenylquinazolin-2-amine;hydrochloride
PubChem CID174298789
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name4-phenylquinazolin-2-amine;hydrochloride
SMILESCl.Nc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C14H11N3.ClH/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;/h1-9H,(H2,15,16,17);1H
InChIKeyGHVRCXHRWNLGSC-UHFFFAOYSA-N
XLogP3.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylquinazolin-2-amine;hydrochloride?
The IUPAC name of 4-phenylquinazolin-2-amine;hydrochloride (CID 174298789) is 4-phenylquinazolin-2-amine;hydrochloride.
What is the SMILES notation for 4-phenylquinazolin-2-amine;hydrochloride?
The canonical SMILES for 4-phenylquinazolin-2-amine;hydrochloride is Cl.Nc1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-phenylquinazolin-2-amine;hydrochloride?
The InChIKey is GHVRCXHRWNLGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3.ClH/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;/h1-9H,(H2,15,16,17);1H.
What are the key properties of 4-phenylquinazolin-2-amine;hydrochloride?
4-phenylquinazolin-2-amine;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylquinazolin-2-amine;hydrochloride is sourced from PubChem (CID 174298789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).