2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

C18H15ClN2O2 — CID 137259538

IUPAC2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)c3ccccc3Cl)C=C2NC1=O
InChIInChI=1S/C18H15ClN2O2/c1-10-11(2)17(22)21-16-9-12(7-8-13(10)16)20-18(23)14-5-3-4-6-15(14)19/h3-9,13H,1-2H3,(H,21,22)/b20-12+
InChIKeyRCHKSAYTQPZRLR-UDWIEESQSA-N
MW326.78 g/mol
LogP3.46
Rot. Bonds1

About 2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (PubChem CID 137259538) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
PubChem CID137259538
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)c3ccccc3Cl)C=C2NC1=O
InChIInChI=1S/C18H15ClN2O2/c1-10-11(2)17(22)21-16-9-12(7-8-13(10)16)20-18(23)14-5-3-4-6-15(14)19/h3-9,13H,1-2H3,(H,21,22)/b20-12+
InChIKeyRCHKSAYTQPZRLR-UDWIEESQSA-N
XLogP3.46
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 137259631
2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259266
2-chloro-N-[4-(2-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide
CID 5254446
2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide
CID 137260305
ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate
CID 137260565
(3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione
CID 10446416
N-[5-[2-amino-1-(4-chloro-2-methylphenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-chlorobenzamide
CID 136614126
1-N'-(2-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980660
[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-chlorobenzoate
CID 5209471
bis(N'-(2-chlorobenzoyl)-N,N-dimethylcarbamimidothioate);palladium(2+)
CID 11678747
(1R,4S)-N-(2-chlorophenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98145990
(1S,4R)-N-(2-chlorophenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 50897880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The IUPAC name of 2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (CID 137259538) is 2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is CC1=C(C)C2C=C/C(=N\C(=O)c3ccccc3Cl)C=C2NC1=O.
What is the InChIKey of 2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The InChIKey is RCHKSAYTQPZRLR-UDWIEESQSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-10-11(2)17(22)21-16-9-12(7-8-13(10)16)20-18(23)14-5-3-4-6-15(14)19/h3-9,13H,1-2H3,(H,21,22)/b20-12+.
What are the key properties of 2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide has a molecular weight of 326.78 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is sourced from PubChem (CID 137259538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).