3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one

C19H20ClN3O — CID 141362696

IUPAC3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one
SMILESO=C1NCCC1Cc1cncc(N2CCc3cc(Cl)ccc3C2)c1
InChIInChI=1S/C19H20ClN3O/c20-17-2-1-16-12-23(6-4-14(16)9-17)18-8-13(10-21-11-18)7-15-3-5-22-19(15)24/h1-2,8-11,15H,3-7,12H2,(H,22,24)
InChIKeyRQIMATBWRGCTEM-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.98
Rot. Bonds3

About 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one

3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 141362696) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID141362696
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one
SMILESO=C1NCCC1Cc1cncc(N2CCc3cc(Cl)ccc3C2)c1
InChIInChI=1S/C19H20ClN3O/c20-17-2-1-16-12-23(6-4-14(16)9-17)18-8-13(10-21-11-18)7-15-3-5-22-19(15)24/h1-2,8-11,15H,3-7,12H2,(H,22,24)
InChIKeyRQIMATBWRGCTEM-UHFFFAOYSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 142721207
3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
CID 103052236
1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine
CID 154053076
6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 140609204
3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one
CID 104679081
6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 141362668
3-[(4-chlorophenyl)methyl]pyrrolidin-2-one;N-propan-2-ylpropan-2-amine
CID 160505997
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
CID 124592994
2-[5-[(1-acetylazetidin-3-yl)methyl]-3-pyridinyl]-6-chloro-3,4-dihydroisoquinolin-1-one
CID 159556291
8-chloro-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one
CID 115107511
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-1,3,4-thiadiazole
CID 122145243
6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinolin-1-one
CID 86685970

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one (CID 141362696) is 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one is O=C1NCCC1Cc1cncc(N2CCc3cc(Cl)ccc3C2)c1.
What is the InChIKey of 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is RQIMATBWRGCTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-17-2-1-16-12-23(6-4-14(16)9-17)18-8-13(10-21-11-18)7-15-3-5-22-19(15)24/h1-2,8-11,15H,3-7,12H2,(H,22,24).
What are the key properties of 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one?
3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 341.84 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 141362696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).