(2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone

C22H21ClN2O2 — CID 55957054

IUPAC(2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1cccc(CC2CCCN2C(=O)c2ccc3nc(Cl)ccc3c2)c1
InChIInChI=1S/C22H21ClN2O2/c1-27-19-6-2-4-15(13-19)12-18-5-3-11-25(18)22(26)17-7-9-20-16(14-17)8-10-21(23)24-20/h2,4,6-10,13-14,18H,3,5,11-12H2,1H3
InChIKeyCFIFCGXGHATTTJ-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.74
Rot. Bonds4

About (2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone

(2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 55957054) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is (2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
PubChem CID55957054
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name(2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1cccc(CC2CCCN2C(=O)c2ccc3nc(Cl)ccc3c2)c1
InChIInChI=1S/C22H21ClN2O2/c1-27-19-6-2-4-15(13-19)12-18-5-3-11-25(18)22(26)17-7-9-20-16(14-17)8-10-21(23)24-20/h2,4,6-10,13-14,18H,3,5,11-12H2,1H3
InChIKeyCFIFCGXGHATTTJ-UHFFFAOYSA-N
XLogP4.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55923674
N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 55955262
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55898155
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55956800
4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55955903
2-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 136562658
(4,5-dibromothiophen-2-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55897514
[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 97313584
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941
(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 55731293

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone (CID 55957054) is (2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone is COc1cccc(CC2CCCN2C(=O)c2ccc3nc(Cl)ccc3c2)c1.
What is the InChIKey of (2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is CFIFCGXGHATTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-27-19-6-2-4-15(13-19)12-18-5-3-11-25(18)22(26)17-7-9-20-16(14-17)8-10-21(23)24-20/h2,4,6-10,13-14,18H,3,5,11-12H2,1H3.
What are the key properties of (2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
(2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 380.88 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55957054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).