(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one

C15H14N2OS — CID 9008862

IUPAC(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2cccs2)N1C1CC1
InChIInChI=1S/C15H14N2OS/c18-15-11-4-1-2-5-12(11)16-14(13-6-3-9-19-13)17(15)10-7-8-10/h1-6,9-10,14,16H,7-8H2/t14-/m0/s1
InChIKeyYRCJFMXVFKYGPL-AWEZNQCLSA-N
MW270.36 g/mol
LogP3.48
Rot. Bonds2

About (2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one

(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 9008862) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID9008862
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2cccs2)N1C1CC1
InChIInChI=1S/C15H14N2OS/c18-15-11-4-1-2-5-12(11)16-14(13-6-3-9-19-13)17(15)10-7-8-10/h1-6,9-10,14,16H,7-8H2/t14-/m0/s1
InChIKeyYRCJFMXVFKYGPL-AWEZNQCLSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9008829
(2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007376
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2S)-3-(4-methylphenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007444
(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 7327692
(2R)-3-cyclopropyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 9008857
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 51454335
(2R)-3-cyclopropyl-2-(2,3-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008478
(2S)-3-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 25350895
N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
CID 4574683
(2S)-2-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 41024221

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one (CID 9008862) is (2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2cccs2)N1C1CC1.
What is the InChIKey of (2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is YRCJFMXVFKYGPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-15-11-4-1-2-5-12(11)16-14(13-6-3-9-19-13)17(15)10-7-8-10/h1-6,9-10,14,16H,7-8H2/t14-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9008862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).