4-naphthalen-1-yl-8-phenylquinazoline

C24H16N2 — CID 166801148

IUPAC4-naphthalen-1-yl-8-phenylquinazoline
SMILESc1ccc(-c2cccc3c(-c4cccc5ccccc45)ncnc23)cc1
InChIInChI=1S/C24H16N2/c1-2-8-18(9-3-1)20-13-7-15-22-23(20)25-16-26-24(22)21-14-6-11-17-10-4-5-12-19(17)21/h1-16H
InChIKeyDBOSYHOLAAVESG-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.12
Rot. Bonds2

About 4-naphthalen-1-yl-8-phenylquinazoline

4-naphthalen-1-yl-8-phenylquinazoline (PubChem CID 166801148) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-naphthalen-1-yl-8-phenylquinazoline.

Molecular Properties

Compound Name4-naphthalen-1-yl-8-phenylquinazoline
PubChem CID166801148
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name4-naphthalen-1-yl-8-phenylquinazoline
SMILESc1ccc(-c2cccc3c(-c4cccc5ccccc45)ncnc23)cc1
InChIInChI=1S/C24H16N2/c1-2-8-18(9-3-1)20-13-7-15-22-23(20)25-16-26-24(22)21-14-6-11-17-10-4-5-12-19(17)21/h1-16H
InChIKeyDBOSYHOLAAVESG-UHFFFAOYSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-8-phenylquinazoline?
The IUPAC name of 4-naphthalen-1-yl-8-phenylquinazoline (CID 166801148) is 4-naphthalen-1-yl-8-phenylquinazoline.
What is the SMILES notation for 4-naphthalen-1-yl-8-phenylquinazoline?
The canonical SMILES for 4-naphthalen-1-yl-8-phenylquinazoline is c1ccc(-c2cccc3c(-c4cccc5ccccc45)ncnc23)cc1.
What is the InChIKey of 4-naphthalen-1-yl-8-phenylquinazoline?
The InChIKey is DBOSYHOLAAVESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-2-8-18(9-3-1)20-13-7-15-22-23(20)25-16-26-24(22)21-14-6-11-17-10-4-5-12-19(17)21/h1-16H.
What are the key properties of 4-naphthalen-1-yl-8-phenylquinazoline?
4-naphthalen-1-yl-8-phenylquinazoline has a molecular weight of 332.41 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-8-phenylquinazoline is sourced from PubChem (CID 166801148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).