(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone

C16H17ClN2O — CID 60973317

IUPAC(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H17ClN2O/c1-2-11-6-5-9-19(11)16(20)13-10-15(17)18-14-8-4-3-7-12(13)14/h3-4,7-8,10-11H,2,5-6,9H2,1H3
InChIKeyFVTKSQDFBBKZGS-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.90
Rot. Bonds2

About (2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone

(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 60973317) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID60973317
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H17ClN2O/c1-2-11-6-5-9-19(11)16(20)13-10-15(17)18-14-8-4-3-7-12(13)14/h3-4,7-8,10-11H,2,5-6,9H2,1H3
InChIKeyFVTKSQDFBBKZGS-UHFFFAOYSA-N
XLogP3.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloroquinolin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107877398
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 72873922
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
[2-(dimethylamino)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698521
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119632453
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone
CID 61072408
(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55137776
(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678213

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone (CID 60973317) is (2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of (2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is FVTKSQDFBBKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-11-6-5-9-19(11)16(20)13-10-15(17)18-14-8-4-3-7-12(13)14/h3-4,7-8,10-11H,2,5-6,9H2,1H3.
What are the key properties of (2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone?
(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 288.78 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60973317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).