(2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one

C18H15BrN2O3 — CID 9008743

IUPAC(2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cc(Br)c3c(c2)OCO3)N1C1CC1
InChIInChI=1S/C18H15BrN2O3/c19-13-7-10(8-15-16(13)24-9-23-15)17-20-14-4-2-1-3-12(14)18(22)21(17)11-5-6-11/h1-4,7-8,11,17,20H,5-6,9H2/t17-/m1/s1
InChIKeyHXMMUXNDZNEIGP-QGZVFWFLSA-N
MW387.23 g/mol
LogP3.91
Rot. Bonds2

About (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one

(2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one (PubChem CID 9008743) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
PubChem CID9008743
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name(2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cc(Br)c3c(c2)OCO3)N1C1CC1
InChIInChI=1S/C18H15BrN2O3/c19-13-7-10(8-15-16(13)24-9-23-15)17-20-14-4-2-1-3-12(14)18(22)21(17)11-5-6-11/h1-4,7-8,11,17,20H,5-6,9H2/t17-/m1/s1
InChIKeyHXMMUXNDZNEIGP-QGZVFWFLSA-N
XLogP3.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2S)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 26638993
3-cyclopropyl-2-(4-hydroxy-3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 84899990
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
(2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9008829
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
3-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1,2-dihydroquinazolin-4-one
CID 71890961
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one
CID 26435725
(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 29429467
(2S)-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 95164177

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one (CID 9008743) is (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2cc(Br)c3c(c2)OCO3)N1C1CC1.
What is the InChIKey of (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
The InChIKey is HXMMUXNDZNEIGP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c19-13-7-10(8-15-16(13)24-9-23-15)17-20-14-4-2-1-3-12(14)18(22)21(17)11-5-6-11/h1-4,7-8,11,17,20H,5-6,9H2/t17-/m1/s1.
What are the key properties of (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one?
(2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one has a molecular weight of 387.23 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9008743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).