6-phenylquinazolin-4-amine

C14H11N3 — CID 90054733

IUPAC6-phenylquinazolin-4-amine
SMILESNc1ncnc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C14H11N3/c15-14-12-8-11(10-4-2-1-3-5-10)6-7-13(12)16-9-17-14/h1-9H,(H2,15,16,17)
InChIKeyKLSNPRMSQXGJND-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.88
Rot. Bonds1

About 6-phenylquinazolin-4-amine

6-phenylquinazolin-4-amine (PubChem CID 90054733) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-phenylquinazolin-4-amine
PubChem CID90054733
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name6-phenylquinazolin-4-amine
SMILESNc1ncnc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C14H11N3/c15-14-12-8-11(10-4-2-1-3-5-10)6-7-13(12)16-9-17-14/h1-9H,(H2,15,16,17)
InChIKeyKLSNPRMSQXGJND-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenylquinazolin-4-amine?
The IUPAC name of 6-phenylquinazolin-4-amine (CID 90054733) is 6-phenylquinazolin-4-amine.
What is the SMILES notation for 6-phenylquinazolin-4-amine?
The canonical SMILES for 6-phenylquinazolin-4-amine is Nc1ncnc2ccc(-c3ccccc3)cc12.
What is the InChIKey of 6-phenylquinazolin-4-amine?
The InChIKey is KLSNPRMSQXGJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-14-12-8-11(10-4-2-1-3-5-10)6-7-13(12)16-9-17-14/h1-9H,(H2,15,16,17).
What are the key properties of 6-phenylquinazolin-4-amine?
6-phenylquinazolin-4-amine has a molecular weight of 221.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylquinazolin-4-amine is sourced from PubChem (CID 90054733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).