6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one

C12H11ClN2O — CID 143957657

IUPAC6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one
SMILESC/C=N/c1c(C)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C12H11ClN2O/c1-3-14-11-7(2)9-6-8(13)4-5-10(9)15-12(11)16/h3-6H,1-2H3,(H,15,16)/b14-3+
InChIKeyHDUFPKPISVVPHO-LZWSPWQCSA-N
MW234.69 g/mol
LogP3.21
Rot. Bonds1

About 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one

6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one (PubChem CID 143957657) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one
PubChem CID143957657
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one
SMILESC/C=N/c1c(C)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C12H11ClN2O/c1-3-14-11-7(2)9-6-8(13)4-5-10(9)15-12(11)16/h3-6H,1-2H3,(H,15,16)/b14-3+
InChIKeyHDUFPKPISVVPHO-LZWSPWQCSA-N
XLogP3.21
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one (CID 143957657) is 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one is C/C=N/c1c(C)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one?
The InChIKey is HDUFPKPISVVPHO-LZWSPWQCSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-3-14-11-7(2)9-6-8(13)4-5-10(9)15-12(11)16/h3-6H,1-2H3,(H,15,16)/b14-3+.
What are the key properties of 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one?
6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one has a molecular weight of 234.69 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 143957657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).