3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one

C17H14N4O3 — CID 110673137

IUPAC3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one
SMILESCOc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(=O)[nH]n1)CC3
InChIInChI=1S/C17H14N4O3/c1-24-12-3-2-10-8-11-6-7-21(16(11)18-14(10)9-12)17(23)13-4-5-15(22)20-19-13/h2-5,8-9H,6-7H2,1H3,(H,20,22)
InChIKeyUEYMEAMXQMFKTA-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.53
Rot. Bonds2

About 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one

3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 110673137) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one
PubChem CID110673137
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one
SMILESCOc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(=O)[nH]n1)CC3
InChIInChI=1S/C17H14N4O3/c1-24-12-3-2-10-8-11-6-7-21(16(11)18-14(10)9-12)17(23)13-4-5-15(22)20-19-13/h2-5,8-9H,6-7H2,1H3,(H,20,22)
InChIKeyUEYMEAMXQMFKTA-UHFFFAOYSA-N
XLogP1.53
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one with MolForge

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Related Compounds

(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996440
(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996288
3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 110673139
methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate
CID 110673152
3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110814587
(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(oxolan-2-yl)methanone
CID 110673151
(4-methoxyphenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996236
2,3-dihydroindol-1-yl-(6-methoxyquinolin-2-yl)methanone
CID 33314487
3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 32823096
[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)phenyl]-piperidin-1-ylmethanone
CID 18859208
2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
CID 20996268
3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 2031185

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one (CID 110673137) is 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one is COc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(=O)[nH]n1)CC3.
What is the InChIKey of 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is UEYMEAMXQMFKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-24-12-3-2-10-8-11-6-7-21(16(11)18-14(10)9-12)17(23)13-4-5-15(22)20-19-13/h2-5,8-9H,6-7H2,1H3,(H,20,22).
What are the key properties of 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one?
3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 322.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 110673137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).