(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

C22H21ClN2O — CID 55923674

IUPAC(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2nc(Cl)ccc2c1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C22H21ClN2O/c23-21-13-10-17-15-18(9-12-20(17)24-21)22(26)25-14-4-7-19(25)11-8-16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13,15,19H,4,7-8,11,14H2
InChIKeyHGEMJYISEOZLQO-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.13
Rot. Bonds4

About (2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 55923674) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is (2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID55923674
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2nc(Cl)ccc2c1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C22H21ClN2O/c23-21-13-10-17-15-18(9-12-20(17)24-21)22(26)25-14-4-7-19(25)11-8-16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13,15,19H,4,7-8,11,14H2
InChIKeyHGEMJYISEOZLQO-UHFFFAOYSA-N
XLogP5.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.13
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-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55957054
(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 55731293
3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 47066259
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 136578028
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96579588
1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 94616102
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779
[3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55876771
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
(4-imidazol-1-yl-3-nitrophenyl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55877791

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (CID 55923674) is (2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc2nc(Cl)ccc2c1)N1CCCC1CCc1ccccc1.
What is the InChIKey of (2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HGEMJYISEOZLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-21-13-10-17-15-18(9-12-20(17)24-21)22(26)25-14-4-7-19(25)11-8-16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13,15,19H,4,7-8,11,14H2.
What are the key properties of (2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 364.88 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55923674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).