3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one

C22H14N2OS — CID 1116973

IUPAC3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cccs2)n1-c1ccc2ccccc2c1
InChIInChI=1S/C22H14N2OS/c25-22-18-8-3-4-9-19(18)23-21(20-10-5-13-26-20)24(22)17-12-11-15-6-1-2-7-16(15)14-17/h1-14H
InChIKeyYSLSIJXGHOYVRU-UHFFFAOYSA-N
MW354.43 g/mol
LogP5.27
Rot. Bonds2

About 3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one

3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one (PubChem CID 1116973) has the molecular formula C22H14N2OS and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one
PubChem CID1116973
Molecular FormulaC22H14N2OS
Molecular Weight354.43 g/mol
Exact Mass354.08
IUPAC Name3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cccs2)n1-c1ccc2ccccc2c1
InChIInChI=1S/C22H14N2OS/c25-22-18-8-3-4-9-19(18)23-21(20-10-5-13-26-20)24(22)17-12-11-15-6-1-2-7-16(15)14-17/h1-14H
InChIKeyYSLSIJXGHOYVRU-UHFFFAOYSA-N
XLogP5.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
CID 722908
3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one
CID 702514
3-hydroxy-2-thiophen-2-ylquinazolin-4-one
CID 14172895
3-naphthalen-2-yl-2-pyridin-3-ylquinazolin-4-one
CID 135154824
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide
CID 15046298
2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one
CID 10570525
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one
CID 15999428
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one?
The IUPAC name of 3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one (CID 1116973) is 3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one.
What is the SMILES notation for 3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one?
The canonical SMILES for 3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one is O=c1c2ccccc2nc(-c2cccs2)n1-c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one?
The InChIKey is YSLSIJXGHOYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2OS/c25-22-18-8-3-4-9-19(18)23-21(20-10-5-13-26-20)24(22)17-12-11-15-6-1-2-7-16(15)14-17/h1-14H.
What are the key properties of 3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one?
3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one has a molecular weight of 354.43 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one is sourced from PubChem (CID 1116973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).