6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one

C19H14N2O2 — CID 136986960

IUPAC6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one
SMILESCOc1ccc2nc(-c3ccc4ccccc4c3)[nH]c(=O)c2c1
InChIInChI=1S/C19H14N2O2/c1-23-15-8-9-17-16(11-15)19(22)21-18(20-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,20,21,22)
InChIKeyBLHHDKLGSJTBEJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.75
Rot. Bonds2

About 6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one

6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one (PubChem CID 136986960) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one
PubChem CID136986960
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one
SMILESCOc1ccc2nc(-c3ccc4ccccc4c3)[nH]c(=O)c2c1
InChIInChI=1S/C19H14N2O2/c1-23-15-8-9-17-16(11-15)19(22)21-18(20-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,20,21,22)
InChIKeyBLHHDKLGSJTBEJ-UHFFFAOYSA-N
XLogP3.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one (CID 136986960) is 6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one is COc1ccc2nc(-c3ccc4ccccc4c3)[nH]c(=O)c2c1.
What is the InChIKey of 6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one?
The InChIKey is BLHHDKLGSJTBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-23-15-8-9-17-16(11-15)19(22)21-18(20-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,20,21,22).
What are the key properties of 6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one?
6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one has a molecular weight of 302.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 136986960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).