3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one

C19H17BrN2O3 — CID 55915280

IUPAC3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESO=C(CCn1c(=O)oc2ccccc21)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C19H17BrN2O3/c20-14-7-8-15-13(12-14)4-3-10-21(15)18(23)9-11-22-16-5-1-2-6-17(16)25-19(22)24/h1-2,5-8,12H,3-4,9-11H2
InChIKeyWOIMWTUCGNTARI-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.73
Rot. Bonds3

About 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one

3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one (PubChem CID 55915280) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
PubChem CID55915280
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESO=C(CCn1c(=O)oc2ccccc21)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C19H17BrN2O3/c20-14-7-8-15-13(12-14)4-3-10-21(15)18(23)9-11-22-16-5-1-2-6-17(16)25-19(22)24/h1-2,5-8,12H,3-4,9-11H2
InChIKeyWOIMWTUCGNTARI-UHFFFAOYSA-N
XLogP3.73
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 16590199
3-[4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one
CID 43035787
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone
CID 55915276
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
3-[3-oxo-3-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]propyl]-1,3-benzoxazol-2-one
CID 16561104
(4-bromophenyl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725724
5-bromo-2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 30425885
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 7479503
N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 126812802
tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylcarbamate
CID 56568100
3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 55379515

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one (CID 55915280) is 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one is O=C(CCn1c(=O)oc2ccccc21)N1CCCc2cc(Br)ccc21.
What is the InChIKey of 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
The InChIKey is WOIMWTUCGNTARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c20-14-7-8-15-13(12-14)4-3-10-21(15)18(23)9-11-22-16-5-1-2-6-17(16)25-19(22)24/h1-2,5-8,12H,3-4,9-11H2.
What are the key properties of 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one has a molecular weight of 401.26 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 55915280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).