3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one

C23H18N2OS2 — CID 144607688

IUPAC3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(Cc3cccs3)s2)N1c1ccccc1
InChIInChI=1S/C23H18N2OS2/c26-23-19-10-4-5-11-20(19)24-22(25(23)16-7-2-1-3-8-16)21-13-12-18(28-21)15-17-9-6-14-27-17/h1-14,22,24H,15H2
InChIKeyHOQFIHZMGOYRCT-UHFFFAOYSA-N
MW402.54 g/mol
LogP6.17
Rot. Bonds4

About 3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one

3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 144607688) has the molecular formula C23H18N2OS2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one
PubChem CID144607688
Molecular FormulaC23H18N2OS2
Molecular Weight402.54 g/mol
Exact Mass402.09
IUPAC Name3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(Cc3cccs3)s2)N1c1ccccc1
InChIInChI=1S/C23H18N2OS2/c26-23-19-10-4-5-11-20(19)24-22(25(23)16-7-2-1-3-8-16)21-13-12-18(28-21)15-17-9-6-14-27-17/h1-14,22,24H,15H2
InChIKeyHOQFIHZMGOYRCT-UHFFFAOYSA-N
XLogP6.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006896
(2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007376
(2S)-3-(4-methylphenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007444
2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 71625882
3-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 71625651
2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 71625422
3-[4-(difluoromethoxy)phenyl]-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 42915041
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 7327692
(2R)-2-(5-methylfuran-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006914
(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 125492451
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one (CID 144607688) is 3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(Cc3cccs3)s2)N1c1ccccc1.
What is the InChIKey of 3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is HOQFIHZMGOYRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2OS2/c26-23-19-10-4-5-11-20(19)24-22(25(23)16-7-2-1-3-8-16)21-13-12-18(28-21)15-17-9-6-14-27-17/h1-14,22,24H,15H2.
What are the key properties of 3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one?
3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 402.54 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[5-(thiophen-2-ylmethyl)thiophen-2-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 144607688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).