(2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one

C15H13BrN2OS — CID 9008829

IUPAC(2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1C1CC1
InChIInChI=1S/C15H13BrN2OS/c16-13-8-7-12(20-13)14-17-11-4-2-1-3-10(11)15(19)18(14)9-5-6-9/h1-4,7-9,14,17H,5-6H2/t14-/m1/s1
InChIKeyNHDQHGNSBOVXKQ-CQSZACIVSA-N
MW349.25 g/mol
LogP4.24
Rot. Bonds2

About (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one

(2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one (PubChem CID 9008829) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
PubChem CID9008829
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name(2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1C1CC1
InChIInChI=1S/C15H13BrN2OS/c16-13-8-7-12(20-13)14-17-11-4-2-1-3-10(11)15(19)18(14)9-5-6-9/h1-4,7-9,14,17H,5-6H2/t14-/m1/s1
InChIKeyNHDQHGNSBOVXKQ-CQSZACIVSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9008862
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2R)-3-cyclopropyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 9008857
(2R)-3-cyclopropyl-2-(2,3-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008478
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
(2S)-3-cyclopropyl-2-imidazo[1,2-a]pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 94821654
(2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 40810083
3-cyclopropyl-2-(4-hydroxy-3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 84899990
(2S)-3-cyclopropyl-2-(2,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008561
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
(2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9008743

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one (CID 9008829) is (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1C1CC1.
What is the InChIKey of (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
The InChIKey is NHDQHGNSBOVXKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c16-13-8-7-12(20-13)14-17-11-4-2-1-3-10(11)15(19)18(14)9-5-6-9/h1-4,7-9,14,17H,5-6H2/t14-/m1/s1.
What are the key properties of (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
(2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one has a molecular weight of 349.25 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9008829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).