(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone

C16H18N2O — CID 154753164

IUPAC(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone
SMILESCC1(C)CCCN1C(=O)c1ccnc2ccccc12
InChIInChI=1S/C16H18N2O/c1-16(2)9-5-11-18(16)15(19)13-8-10-17-14-7-4-3-6-12(13)14/h3-4,6-8,10H,5,9,11H2,1-2H3
InChIKeyIHBKJNPOXSGLSY-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.25
Rot. Bonds1

About (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone

(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone (PubChem CID 154753164) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone
PubChem CID154753164
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone
SMILESCC1(C)CCCN1C(=O)c1ccnc2ccccc12
InChIInChI=1S/C16H18N2O/c1-16(2)9-5-11-18(16)15(19)13-8-10-17-14-7-4-3-6-12(13)14/h3-4,6-8,10H,5,9,11H2,1-2H3
InChIKeyIHBKJNPOXSGLSY-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-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

(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 63217932
1,2-oxazolidin-2-yl(quinolin-4-yl)methanone
CID 113375772
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone
CID 71971495
6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149017866
(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone
CID 63218887
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
CID 154566115
4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 113263155
(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196
3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one
CID 63607746
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone (CID 154753164) is (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone is CC1(C)CCCN1C(=O)c1ccnc2ccccc12.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone?
The InChIKey is IHBKJNPOXSGLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2)9-5-11-18(16)15(19)13-8-10-17-14-7-4-3-6-12(13)14/h3-4,6-8,10H,5,9,11H2,1-2H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone?
(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone has a molecular weight of 254.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone is sourced from PubChem (CID 154753164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).