(2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C18H16Br2N2O2 — CID 40810083

IUPAC(2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1
InChIInChI=1S/C18H16Br2N2O2/c1-24-16-13(8-10(19)9-14(16)20)17-21-15-5-3-2-4-12(15)18(23)22(17)11-6-7-11/h2-5,8-9,11,17,21H,6-7H2,1H3/t17-/m1/s1
InChIKeyOGKFMHYVZRKCDJ-QGZVFWFLSA-N
MW452.15 g/mol
LogP4.95
Rot. Bonds3

About (2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

(2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 40810083) has the molecular formula C18H16Br2N2O2 and a molecular weight of 452.15 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID40810083
Molecular FormulaC18H16Br2N2O2
Molecular Weight452.15 g/mol
Exact Mass449.96
IUPAC Name(2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1
InChIInChI=1S/C18H16Br2N2O2/c1-24-16-13(8-10(19)9-14(16)20)17-21-15-5-3-2-4-12(15)18(23)22(17)11-6-7-11/h2-5,8-9,11,17,21H,6-7H2,1H3/t17-/m1/s1
InChIKeyOGKFMHYVZRKCDJ-QGZVFWFLSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.15
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
(2R)-3-cyclopropyl-2-(2,3-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008478
(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9008726
(2S)-3-cyclopropyl-2-(2,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008561
(2R)-2-(5-bromothiophen-2-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9008829
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
(2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9008743
(2R)-3-cyclopropyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 9008857
4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate
CID 9012101
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9008862

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 40810083) is (2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1.
What is the InChIKey of (2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is OGKFMHYVZRKCDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16Br2N2O2/c1-24-16-13(8-10(19)9-14(16)20)17-21-15-5-3-2-4-12(15)18(23)22(17)11-6-7-11/h2-5,8-9,11,17,21H,6-7H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 452.15 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopropyl-2-(3,5-dibromo-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 40810083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).