6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

C15H13Cl2NOS — CID 80641053

IUPAC6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(Cl)c3sccc3Cl)ccc21
InChIInChI=1S/C15H13Cl2NOS/c1-18-12-4-2-10(8-9(12)3-5-13(18)19)14(17)15-11(16)6-7-20-15/h2,4,6-8,14H,3,5H2,1H3
InChIKeySGMKGZMJJVDLBY-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.64
Rot. Bonds2

About 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 80641053) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID80641053
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC Name6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(Cl)c3sccc3Cl)ccc21
InChIInChI=1S/C15H13Cl2NOS/c1-18-12-4-2-10(8-9(12)3-5-13(18)19)14(17)15-11(16)6-7-20-15/h2,4,6-8,14H,3,5H2,1H3
InChIKeySGMKGZMJJVDLBY-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-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

Related Compounds

6-[(3-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 80642258
6-[(4-bromophenyl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63105040
6-[bromo-(3-bromothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63797858
6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63107454
6-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 107964798
6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 81122117
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106324
6-[bromo-(3-ethylthiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 79975047
6-[(2-bromofuran-3-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 106855636
6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107266
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 55177038

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 80641053) is 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(Cl)c3sccc3Cl)ccc21.
What is the InChIKey of 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is SGMKGZMJJVDLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c1-18-12-4-2-10(8-9(12)3-5-13(18)19)14(17)15-11(16)6-7-20-15/h2,4,6-8,14H,3,5H2,1H3.
What are the key properties of 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 326.25 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 80641053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).