[2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

C21H20N2O — CID 896504

IUPAC[2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1-c1cc(C(=O)N2CCCC2)c2ccccc2n1
InChIInChI=1S/C21H20N2O/c1-15-8-2-3-9-16(15)20-14-18(21(24)23-12-6-7-13-23)17-10-4-5-11-19(17)22-20/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyNIFVYPOTSLHTGI-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.45
Rot. Bonds2

About [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

[2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 896504) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID896504
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name[2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1-c1cc(C(=O)N2CCCC2)c2ccccc2n1
InChIInChI=1S/C21H20N2O/c1-15-8-2-3-9-16(15)20-14-18(21(24)23-12-6-7-13-23)17-10-4-5-11-19(17)22-20/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyNIFVYPOTSLHTGI-UHFFFAOYSA-N
XLogP4.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
CID 1345
N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
Jwh 015
CID 4273754
Jwh-007
CID 10360860
SB 222200
CID 6604009
Tubastatin A
CID 49850262
Olinone
CID 91668531
CK-666
CID 589075
N-[(2r)-Butan-2-Yl]-1-(2-Chlorophenyl)-N-Methylisoquinoline-3-Carboxamide
CID 24839733
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
(4-Ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
CID 45268707
9-Acridinecarboxaldehyde
CID 98663

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (CID 896504) is [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is Cc1ccccc1-c1cc(C(=O)N2CCCC2)c2ccccc2n1.
What is the InChIKey of [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NIFVYPOTSLHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-15-8-2-3-9-16(15)20-14-18(21(24)23-12-6-7-13-23)17-10-4-5-11-19(17)22-20/h2-5,8-11,14H,6-7,12-13H2,1H3.
What are the key properties of [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 316.40 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 896504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).