1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one

C20H21ClN2O — CID 155814423

IUPAC1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C20H21ClN2O/c21-16-9-7-15(8-10-16)14-22-13-11-19(23-12-3-6-20(23)24)17-4-1-2-5-18(17)22/h1-2,4-5,7-10,19H,3,6,11-14H2
InChIKeyKUYUNJYKAHFIEU-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.41
Rot. Bonds3

About 1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one

1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one (PubChem CID 155814423) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one
PubChem CID155814423
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C20H21ClN2O/c21-16-9-7-15(8-10-16)14-22-13-11-19(23-12-3-6-20(23)24)17-4-1-2-5-18(17)22/h1-2,4-5,7-10,19H,3,6,11-14H2
InChIKeyKUYUNJYKAHFIEU-UHFFFAOYSA-N
XLogP4.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one (CID 155814423) is 1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(Cc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one?
The InChIKey is KUYUNJYKAHFIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-16-9-7-15(8-10-16)14-22-13-11-19(23-12-3-6-20(23)24)17-4-1-2-5-18(17)22/h1-2,4-5,7-10,19H,3,6,11-14H2.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one?
1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one has a molecular weight of 340.85 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 155814423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).