7-chloro-3,4-dimethylisoquinoline;ethane

C15H22ClN — CID 142294625

IUPAC7-chloro-3,4-dimethylisoquinoline;ethane
SMILESCC.CC.Cc1ncc2cc(Cl)ccc2c1C
InChIInChI=1S/C11H10ClN.2C2H6/c1-7-8(2)13-6-9-5-10(12)3-4-11(7)9;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyVMLKBPPMZNZZFD-UHFFFAOYSA-N
MW251.80 g/mol
LogP5.56
Rot. Bonds

About 7-chloro-3,4-dimethylisoquinoline;ethane

7-chloro-3,4-dimethylisoquinoline;ethane (PubChem CID 142294625) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 7-chloro-3,4-dimethylisoquinoline;ethane.

Molecular Properties

Compound Name7-chloro-3,4-dimethylisoquinoline;ethane
PubChem CID142294625
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name7-chloro-3,4-dimethylisoquinoline;ethane
SMILESCC.CC.Cc1ncc2cc(Cl)ccc2c1C
InChIInChI=1S/C11H10ClN.2C2H6/c1-7-8(2)13-6-9-5-10(12)3-4-11(7)9;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyVMLKBPPMZNZZFD-UHFFFAOYSA-N
XLogP5.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.80
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-fluoro-3,4-dimethylisoquinoline
CID 142294590
4-bromo-7-chloroisoquinoline;ethane
CID 167508730
7-chloro-4-methylquinazoline;ethane
CID 142542904
7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one
CID 167511589
3-tert-butyl-6-chloro-1-methylisoquinoline
CID 59286602
9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine
CID 53242883
3-chloro-6-methylphenanthridine
CID 22482295
2,6-dichloro-3-methyl-1-benzofuran
CID 151191447
5-chloro-1-methyl-2-benzofuran
CID 67274520
6-chloro-1-methylsulfanylisoquinoline
CID 119093013
7-chloro-3-methylquinoline
CID 23510375
6-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-amine
CID 12904746

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dimethylisoquinoline;ethane?
The IUPAC name of 7-chloro-3,4-dimethylisoquinoline;ethane (CID 142294625) is 7-chloro-3,4-dimethylisoquinoline;ethane.
What is the SMILES notation for 7-chloro-3,4-dimethylisoquinoline;ethane?
The canonical SMILES for 7-chloro-3,4-dimethylisoquinoline;ethane is CC.CC.Cc1ncc2cc(Cl)ccc2c1C.
What is the InChIKey of 7-chloro-3,4-dimethylisoquinoline;ethane?
The InChIKey is VMLKBPPMZNZZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN.2C2H6/c1-7-8(2)13-6-9-5-10(12)3-4-11(7)9;2*1-2/h3-6H,1-2H3;2*1-2H3.
What are the key properties of 7-chloro-3,4-dimethylisoquinoline;ethane?
7-chloro-3,4-dimethylisoquinoline;ethane has a molecular weight of 251.80 g/mol, XLogP of 5.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dimethylisoquinoline;ethane is sourced from PubChem (CID 142294625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).