7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one

C18H16ClNO2 — CID 169128473

IUPAC7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
SMILESCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O
InChIInChI=1S/C18H16ClNO2/c1-13-11-14-7-8-15(19)12-17(14)20(18(13)21)9-10-22-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3
InChIKeyTVNIUSVURXTWNE-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.04
Rot. Bonds4

About 7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one

7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one (PubChem CID 169128473) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
PubChem CID169128473
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
SMILESCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O
InChIInChI=1S/C18H16ClNO2/c1-13-11-14-7-8-15(19)12-17(14)20(18(13)21)9-10-22-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3
InChIKeyTVNIUSVURXTWNE-UHFFFAOYSA-N
XLogP4.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 26319674
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315
1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
CID 2124712
7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one
CID 45181917
7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 26396881
N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide
CID 163359187
7-chloro-N-(2-methylidenebut-3-enyl)-2-oxo-1-(2-phenoxyethyl)quinoline-3-carboxamide;prop-1-ene
CID 169128487
7-chloro-3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128453
7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
CID 163359200
7-chloro-3-[[[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128491
3-[[[(3Z,5E)-6-bromo-2-methylidenehepta-3,5-dienyl]amino]methyl]-7-chloro-1-(2-phenoxyethyl)quinolin-2-one
CID 169128512
7-chloro-3-[[[(2Z,3Z,5E)-5-methoxy-2-propylidenehepta-3,5-dienyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 170086144

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one?
The IUPAC name of 7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one (CID 169128473) is 7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one.
What is the SMILES notation for 7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one?
The canonical SMILES for 7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one is Cc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O.
What is the InChIKey of 7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one?
The InChIKey is TVNIUSVURXTWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-13-11-14-7-8-15(19)12-17(14)20(18(13)21)9-10-22-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one?
7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one has a molecular weight of 313.78 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one is sourced from PubChem (CID 169128473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).