6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one

C17H15ClN2O2 — CID 155547940

IUPAC6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
SMILESCOc1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
InChIInChI=1S/C17H15ClN2O2/c1-22-15-4-2-3-14(9-15)19-10-12-7-11-8-13(18)5-6-16(11)20-17(12)21/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyYEYGUUUBDJPUCT-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.80
Rot. Bonds4

About 6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one

6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one (PubChem CID 155547940) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
PubChem CID155547940
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
SMILESCOc1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
InChIInChI=1S/C17H15ClN2O2/c1-22-15-4-2-3-14(9-15)19-10-12-7-11-8-13(18)5-6-16(11)20-17(12)21/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyYEYGUUUBDJPUCT-UHFFFAOYSA-N
XLogP3.80
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

SB-366791
CID 667594
4-{[(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
CID 118955625
N-(3-methoxyphenyl)-4-chlorocinnamanilide
CID 4099413
N-(4-chlorophenyl)-N'-(4-methoxybenzyl)butanediamide
CID 3968274
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 10761912
N-(4-chlorophenyl)-N'-(4-methoxybenzyl)ethanediamide
CID 2281328
1-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-5-methoxy-1H-quinolin-2-one (HCl)
CID 10716593
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 25176084
(S)-5-((1-(6-chloro-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955424
4-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955554
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile
CID 118955568
4-((6-Chloro-8-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methylamino)-2-methoxybenzonitrile
CID 118955589

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one (CID 155547940) is 6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one is COc1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1.
What is the InChIKey of 6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one?
The InChIKey is YEYGUUUBDJPUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-15-4-2-3-14(9-15)19-10-12-7-11-8-13(18)5-6-16(11)20-17(12)21/h2-9,19H,10H2,1H3,(H,20,21).
What are the key properties of 6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one?
6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one has a molecular weight of 314.77 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 155547940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).