7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one

C24H23ClN2O2S — CID 45181917

IUPAC7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one
SMILESCC(NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O)c1cccs1
InChIInChI=1S/C24H23ClN2O2S/c1-17(23-8-5-13-30-23)26-16-19-14-18-9-10-20(25)15-22(18)27(24(19)28)11-12-29-21-6-3-2-4-7-21/h2-10,13-15,17,26H,11-12,16H2,1H3
InChIKeyJBSOGVSNEBBHKU-UHFFFAOYSA-N
MW438.98 g/mol
LogP5.65
Rot. Bonds8

About 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one

7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one (PubChem CID 45181917) has the molecular formula C24H23ClN2O2S and a molecular weight of 438.98 g/mol. Its IUPAC name is 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one.

Molecular Properties

Compound Name7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one
PubChem CID45181917
Molecular FormulaC24H23ClN2O2S
Molecular Weight438.98 g/mol
Exact Mass438.12
IUPAC Name7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one
SMILESCC(NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O)c1cccs1
InChIInChI=1S/C24H23ClN2O2S/c1-17(23-8-5-13-30-23)26-16-19-14-18-9-10-20(25)15-22(18)27(24(19)28)11-12-29-21-6-3-2-4-7-21/h2-10,13-15,17,26H,11-12,16H2,1H3
InChIKeyJBSOGVSNEBBHKU-UHFFFAOYSA-N
XLogP5.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one with MolForge

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Related Compounds

7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315
7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
CID 169128473
N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide
CID 163359187
7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 26319674
7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 26396881
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
7-chloro-3-[[[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128491
7-chloro-3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128453
(1S)-N-[(2-bromo-5-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 81399052
1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
CID 2124712
2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687973

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one?
The IUPAC name of 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one (CID 45181917) is 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one.
What is the SMILES notation for 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one?
The canonical SMILES for 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one is CC(NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O)c1cccs1.
What is the InChIKey of 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one?
The InChIKey is JBSOGVSNEBBHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2S/c1-17(23-8-5-13-30-23)26-16-19-14-18-9-10-20(25)15-22(18)27(24(19)28)11-12-29-21-6-3-2-4-7-21/h2-10,13-15,17,26H,11-12,16H2,1H3.
What are the key properties of 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one?
7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one has a molecular weight of 438.98 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one is sourced from PubChem (CID 45181917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).