(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

C18H19BrN2O3 — CID 25335955

IUPAC(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCCCOc1c(Br)cc([C@@H]2NC(=O)c3ccccc3N2)cc1OC
InChIInChI=1S/C18H19BrN2O3/c1-3-8-24-16-13(19)9-11(10-15(16)23-2)17-20-14-7-5-4-6-12(14)18(22)21-17/h4-7,9-10,17,20H,3,8H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyLUBQAWMMOVQVEH-KRWDZBQOSA-N
MW391.27 g/mol
LogP4.10
Rot. Bonds5

About (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 25335955) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID25335955
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCCCOc1c(Br)cc([C@@H]2NC(=O)c3ccccc3N2)cc1OC
InChIInChI=1S/C18H19BrN2O3/c1-3-8-24-16-13(19)9-11(10-15(16)23-2)17-20-14-7-5-4-6-12(14)18(22)21-17/h4-7,9-10,17,20H,3,8H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyLUBQAWMMOVQVEH-KRWDZBQOSA-N
XLogP4.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 25340665
2-[4-[7-[2,6-dimethoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]heptoxy]-3-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 89124416
2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 42915021
(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one
CID 97313103
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 17407034
2-[3-methoxy-4-[8-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]octoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 89123021
2-[4-[2-[2,6-dimethoxy-4-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]ethoxy]-3-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 46207545
2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110538069
2-[3-methoxy-4-[3-[2-methoxy-3-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]phenoxy]propoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 46207790
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 28773010
1-bromo-3-methoxy-5-methyl-2-propoxybenzene
CID 19887974
2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 54778417

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 25335955) is (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is CCCOc1c(Br)cc([C@@H]2NC(=O)c3ccccc3N2)cc1OC.
What is the InChIKey of (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is LUBQAWMMOVQVEH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-8-24-16-13(19)9-11(10-15(16)23-2)17-20-14-7-5-4-6-12(14)18(22)21-17/h4-7,9-10,17,20H,3,8H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 391.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 25335955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).