4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one

C18H14BrN3O2 — CID 17233939

IUPAC4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C18H14BrN3O2/c19-12-7-8-15-11(10-12)4-3-9-22(15)18(24)16-13-5-1-2-6-14(13)17(23)21-20-16/h1-2,5-8,10H,3-4,9H2,(H,21,23)
InChIKeyFXCQUATUWFDKMT-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.28
Rot. Bonds1

About 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one

4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one (PubChem CID 17233939) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one
PubChem CID17233939
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C18H14BrN3O2/c19-12-7-8-15-11(10-12)4-3-9-22(15)18(24)16-13-5-1-2-6-14(13)17(23)21-20-16/h1-2,5-8,10H,3-4,9H2,(H,21,23)
InChIKeyFXCQUATUWFDKMT-UHFFFAOYSA-N
XLogP3.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one
CID 167785269
4-(4-oxopiperidine-1-carbonyl)-2H-phthalazin-1-one
CID 71564575
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 4794809
2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one
CID 55674260
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone
CID 55915276
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2H-phthalazin-1-one
CID 9070716
1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55915537
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
(4-bromo-2-sulfanylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107021560
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 9076396
4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 17435748
[5-bromo-2-(2,5-dimethylpyrrol-1-yl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 25181238

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one (CID 17233939) is 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one is O=C(c1n[nH]c(=O)c2ccccc12)N1CCCc2cc(Br)ccc21.
What is the InChIKey of 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one?
The InChIKey is FXCQUATUWFDKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-12-7-8-15-11(10-12)4-3-9-22(15)18(24)16-13-5-1-2-6-14(13)17(23)21-20-16/h1-2,5-8,10H,3-4,9H2,(H,21,23).
What are the key properties of 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one?
4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one has a molecular weight of 384.23 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one is sourced from PubChem (CID 17233939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).