(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone

C21H22ClNO2 — CID 7299544

IUPAC(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[C@H](Cl)c1ccccc1
InChIInChI=1S/C21H22ClNO2/c1-14-13-21(2,3)23(18-11-10-16(25-4)12-17(14)18)20(24)19(22)15-8-6-5-7-9-15/h5-13,19H,1-4H3/t19-/m1/s1
InChIKeyRWYYCWBQAJQOIK-LJQANCHMSA-N
MW355.87 g/mol
LogP5.20
Rot. Bonds3

About (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone

(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone (PubChem CID 7299544) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone
PubChem CID7299544
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[C@H](Cl)c1ccccc1
InChIInChI=1S/C21H22ClNO2/c1-14-13-21(2,3)23(18-11-10-16(25-4)12-17(14)18)20(24)19(22)15-8-6-5-7-9-15/h5-13,19H,1-4H3/t19-/m1/s1
InChIKeyRWYYCWBQAJQOIK-LJQANCHMSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone with MolForge

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Related Compounds

(E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one
CID 1106522
(2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one
CID 944769
(1-benzoyl-2,2,4-trimethylquinolin-6-yl) benzoate
CID 1106529
6-ethoxy-2,2,4-trimethylquinoline-1-carbonyl chloride
CID 20558605
[2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate
CID 1282280
[2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 7070264
N-[(1R)-1-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethyl]-6-methoxy-2,2,4-trimethylquinoline-1-carboxamide
CID 6578442
(2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid
CID 125044616
1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 132914391
(3,4-dimethoxyphenyl)-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)methanone
CID 17168805
1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 39895245
2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one
CID 133219792

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone (CID 7299544) is (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone is COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[C@H](Cl)c1ccccc1.
What is the InChIKey of (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone?
The InChIKey is RWYYCWBQAJQOIK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22ClNO2/c1-14-13-21(2,3)23(18-11-10-16(25-4)12-17(14)18)20(24)19(22)15-8-6-5-7-9-15/h5-13,19H,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone?
(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone has a molecular weight of 355.87 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone is sourced from PubChem (CID 7299544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).