3,4-dichloro-6-propan-2-ylquinoline

C12H11Cl2N — CID 114759774

IUPAC3,4-dichloro-6-propan-2-ylquinoline
SMILESCC(C)c1ccc2ncc(Cl)c(Cl)c2c1
InChIInChI=1S/C12H11Cl2N/c1-7(2)8-3-4-11-9(5-8)12(14)10(13)6-15-11/h3-7H,1-2H3
InChIKeyDILXEAMUDCLTRI-UHFFFAOYSA-N
MW240.13 g/mol
LogP4.66
Rot. Bonds1

About 3,4-dichloro-6-propan-2-ylquinoline

3,4-dichloro-6-propan-2-ylquinoline (PubChem CID 114759774) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 3,4-dichloro-6-propan-2-ylquinoline.

Molecular Properties

Compound Name3,4-dichloro-6-propan-2-ylquinoline
PubChem CID114759774
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name3,4-dichloro-6-propan-2-ylquinoline
SMILESCC(C)c1ccc2ncc(Cl)c(Cl)c2c1
InChIInChI=1S/C12H11Cl2N/c1-7(2)8-3-4-11-9(5-8)12(14)10(13)6-15-11/h3-7H,1-2H3
InChIKeyDILXEAMUDCLTRI-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
4-chloro-2-phenyl-6-propan-2-ylquinazoline
CID 114590616
3-chloro-4-propan-2-ylquinolin-6-ol
CID 105478564
3-chloro-5-propan-2-yl-2H-indazole
CID 89476289
4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline
CID 114590631
3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
(6-propan-2-ylquinoxalin-2-yl)methanethiol
CID 142320189
2-chloro-5-propan-2-ylphenol
CID 59596487
6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
2,8-di(propan-2-yl)phenazine
CID 70800003
3,5-di(propan-2-yl)-2H-indazole
CID 58499067
4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-6-propan-2-ylquinoline?
The IUPAC name of 3,4-dichloro-6-propan-2-ylquinoline (CID 114759774) is 3,4-dichloro-6-propan-2-ylquinoline.
What is the SMILES notation for 3,4-dichloro-6-propan-2-ylquinoline?
The canonical SMILES for 3,4-dichloro-6-propan-2-ylquinoline is CC(C)c1ccc2ncc(Cl)c(Cl)c2c1.
What is the InChIKey of 3,4-dichloro-6-propan-2-ylquinoline?
The InChIKey is DILXEAMUDCLTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N/c1-7(2)8-3-4-11-9(5-8)12(14)10(13)6-15-11/h3-7H,1-2H3.
What are the key properties of 3,4-dichloro-6-propan-2-ylquinoline?
3,4-dichloro-6-propan-2-ylquinoline has a molecular weight of 240.13 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-6-propan-2-ylquinoline is sourced from PubChem (CID 114759774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).