2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C22H24N4O — CID 126924815

IUPAC2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1ccnc3ccccc13)CCCC2
InChIInChI=1S/C22H24N4O/c27-22-14-16-6-1-3-9-19(16)24-26(22)15-17-7-5-13-25(17)21-11-12-23-20-10-4-2-8-18(20)21/h2,4,8,10-12,14,17H,1,3,5-7,9,13,15H2
InChIKeyUKNLXTZGARWRIH-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.34
Rot. Bonds3

About 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126924815) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126924815
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1ccnc3ccccc13)CCCC2
InChIInChI=1S/C22H24N4O/c27-22-14-16-6-1-3-9-19(16)24-26(22)15-17-7-5-13-25(17)21-11-12-23-20-10-4-2-8-18(20)21/h2,4,8,10-12,14,17H,1,3,5-7,9,13,15H2
InChIKeyUKNLXTZGARWRIH-UHFFFAOYSA-N
XLogP3.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924819
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924991
2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924581
2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924803
2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924752
2-[[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924880
2-[[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925591
4-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoline
CID 99837183
N-methyl-1-(1-quinolin-4-ylpyrrolidin-2-yl)methanamine
CID 62585638
2-[2-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126925000
2-[[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924840
2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925028

Frequently Asked Questions

What is the IUPAC name of 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126924815) is 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CC1CCCN1c1ccnc3ccccc13)CCCC2.
What is the InChIKey of 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is UKNLXTZGARWRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22-14-16-6-1-3-9-19(16)24-26(22)15-17-7-5-13-25(17)21-11-12-23-20-10-4-2-8-18(20)21/h2,4,8,10-12,14,17H,1,3,5-7,9,13,15H2.
What are the key properties of 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 360.46 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126924815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).