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'}

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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).