6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one

C21H25ClN2O2 — CID 142993466

IUPAC6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one
SMILESC=C(O/N=C/C)c1c(/C(=C/CCC)CCC)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C21H25ClN2O2/c1-5-8-10-15(9-6-2)20-17-13-16(22)11-12-18(17)24-21(25)19(20)14(4)26-23-7-3/h7,10-13H,4-6,8-9H2,1-3H3,(H,24,25)/b15-10+,23-7+
InChIKeyUIHUEBAUOYULNH-YSCOKPJHSA-N
MW372.90 g/mol
LogP6.16
Rot. Bonds8

About 6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one

6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one (PubChem CID 142993466) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one
PubChem CID142993466
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one
SMILESC=C(O/N=C/C)c1c(/C(=C/CCC)CCC)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C21H25ClN2O2/c1-5-8-10-15(9-6-2)20-17-13-16(22)11-12-18(17)24-21(25)19(20)14(4)26-23-7-3/h7,10-13H,4-6,8-9H2,1-3H3,(H,24,25)/b15-10+,23-7+
InChIKeyUIHUEBAUOYULNH-YSCOKPJHSA-N
XLogP6.16
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)ethenoxyimino]acetaldehyde;methanol
CID 142993401
6-chloro-4-phenyl-3-[1-[(E)-1-(2-pyrrolidin-1-ylethylamino)propan-2-ylideneamino]oxyethenyl]-1H-quinolin-2-one;dimethyl 3-aminopentanedioate;ethane;3-[1-[(E)-ethylideneamino]oxyethenyl]-6-methyl-4-phenyl-1H-quinolin-2-one
CID 142993387
6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one
CID 142993430
6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one
CID 143957657
ethyl 2-but-3-enyl-5-chloro-1H-indole-3-carboxylate
CID 23726084
(3,6-dichloro-2-oxo-1H-quinolin-4-yl)methyl acetate
CID 121013645
(3-amino-6-chloro-2-oxo-1H-quinolin-4-yl)oxyboronic acid
CID 178066419
6-chloro-3-[(E)-3-(2-chloro-6-fluorophenyl)but-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 86300874
ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 50776714
6-chloro-3-[3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3123581
6-chloro-3-[3-(2-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 4668889
5-chloro-3-methoxy-1H-indole-2-carbaldehyde
CID 82394983

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one (CID 142993466) is 6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one is C=C(O/N=C/C)c1c(/C(=C/CCC)CCC)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one?
The InChIKey is UIHUEBAUOYULNH-YSCOKPJHSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-5-8-10-15(9-6-2)20-17-13-16(22)11-12-18(17)24-21(25)19(20)14(4)26-23-7-3/h7,10-13H,4-6,8-9H2,1-3H3,(H,24,25)/b15-10+,23-7+.
What are the key properties of 6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one?
6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one has a molecular weight of 372.90 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[(E)-ethylideneamino]oxyethenyl]-4-[(E)-oct-4-en-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 142993466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).