2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C19H18N4O2 — CID 126923129

IUPAC2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(c1ccc2ncccc2c1)N1CCCC1Cn1ncccc1=O
InChIInChI=1S/C19H18N4O2/c24-18-6-2-10-21-23(18)13-16-5-3-11-22(16)19(25)15-7-8-17-14(12-15)4-1-9-20-17/h1-2,4,6-10,12,16H,3,5,11,13H2
InChIKeyLRUCAKXTHGLZNT-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.10
Rot. Bonds3

About 2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923129) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923129
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(c1ccc2ncccc2c1)N1CCCC1Cn1ncccc1=O
InChIInChI=1S/C19H18N4O2/c24-18-6-2-10-21-23(18)13-16-5-3-11-22(16)19(25)15-7-8-17-14(12-15)4-1-9-20-17/h1-2,4,6-10,12,16H,3,5,11,13H2
InChIKeyLRUCAKXTHGLZNT-UHFFFAOYSA-N
XLogP2.10
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone
CID 167959828
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923438
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923085
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128
2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923127
1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
CID 127041508
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
6-methyl-2-[[1-(quinoline-6-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926956
1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538785

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923129) is 2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=C(c1ccc2ncccc2c1)N1CCCC1Cn1ncccc1=O.
What is the InChIKey of 2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is LRUCAKXTHGLZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18-6-2-10-21-23(18)13-16-5-3-11-22(16)19(25)15-7-8-17-14(12-15)4-1-9-20-17/h1-2,4,6-10,12,16H,3,5,11,13H2.
What are the key properties of 2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 334.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).