6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one

C19H15BrN2O2 — CID 110296018

IUPAC6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc2cc(Br)ccc2[nH]c1=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H15BrN2O2/c20-15-5-6-17-14(9-15)10-16(18(23)21-17)19(24)22-8-7-12-3-1-2-4-13(12)11-22/h1-6,9-10H,7-8,11H2,(H,21,23)
InChIKeyHHBCDFZXRLXYDQ-UHFFFAOYSA-N
MW383.25 g/mol
LogP3.49
Rot. Bonds1

About 6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one

6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one (PubChem CID 110296018) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one
PubChem CID110296018
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc2cc(Br)ccc2[nH]c1=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H15BrN2O2/c20-15-5-6-17-14(9-15)10-16(18(23)21-17)19(24)22-8-7-12-3-1-2-4-13(12)11-22/h1-6,9-10H,7-8,11H2,(H,21,23)
InChIKeyHHBCDFZXRLXYDQ-UHFFFAOYSA-N
XLogP3.49
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-fluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24696867
(2-amino-4-bromophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 79706736
3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone
CID 9113222
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701020
6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 110296017
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113232778
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136832021
3-(6-bromo-3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 155372755
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 84578712

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one (CID 110296018) is 6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one is O=C(c1cc2cc(Br)ccc2[nH]c1=O)N1CCc2ccccc2C1.
What is the InChIKey of 6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one?
The InChIKey is HHBCDFZXRLXYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c20-15-5-6-17-14(9-15)10-16(18(23)21-17)19(24)22-8-7-12-3-1-2-4-13(12)11-22/h1-6,9-10H,7-8,11H2,(H,21,23).
What are the key properties of 6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one?
6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one has a molecular weight of 383.25 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 110296018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).