(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone

C20H17ClN2O2 — CID 91815832

IUPAC(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C20H17ClN2O2/c21-17-7-3-2-6-16(17)20(24)23-12-11-15(13-23)25-19-10-9-14-5-1-4-8-18(14)22-19/h1-10,15H,11-13H2
InChIKeyJDDZNBLOHGTLOD-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.18
Rot. Bonds3

About (2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone

(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 91815832) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is (2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID91815832
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C20H17ClN2O2/c21-17-7-3-2-6-16(17)20(24)23-12-11-15(13-23)25-19-10-9-14-5-1-4-8-18(14)22-19/h1-10,15H,11-13H2
InChIKeyJDDZNBLOHGTLOD-UHFFFAOYSA-N
XLogP4.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(3S)-3-quinolin-2-yloxypyrrolidine-1-carbonyl]pyridin-2-one
CID 100739490
(2-methoxy-3-pyridinyl)-[(3R)-3-quinolin-2-yloxypyrrolidin-1-yl]methanone
CID 124727992
(3-methoxy-1-methylpyrazol-4-yl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815847
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
pyridin-2-yl-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815849
4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile
CID 91815852
[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134153918
(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250314
(2-fluorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250299
(4-morpholin-4-ylphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815867
(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 119100517
(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815865

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone (CID 91815832) is (2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone is O=C(c1ccccc1Cl)N1CCC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is JDDZNBLOHGTLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-17-7-3-2-6-16(17)20(24)23-12-11-15(13-23)25-19-10-9-14-5-1-4-8-18(14)22-19/h1-10,15H,11-13H2.
What are the key properties of (2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone?
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 352.82 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 91815832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).