4,8-dichloro-6-methyl-2-propan-2-ylquinoline

C13H13Cl2N — CID 43668494

IUPAC4,8-dichloro-6-methyl-2-propan-2-ylquinoline
SMILESCc1cc(Cl)c2nc(C(C)C)cc(Cl)c2c1
InChIInChI=1S/C13H13Cl2N/c1-7(2)12-6-10(14)9-4-8(3)5-11(15)13(9)16-12/h4-7H,1-3H3
InChIKeyMUWXNKPFRQFFIQ-UHFFFAOYSA-N
MW254.16 g/mol
LogP4.97
Rot. Bonds1

About 4,8-dichloro-6-methyl-2-propan-2-ylquinoline

4,8-dichloro-6-methyl-2-propan-2-ylquinoline (PubChem CID 43668494) has the molecular formula C13H13Cl2N and a molecular weight of 254.16 g/mol. Its IUPAC name is 4,8-dichloro-6-methyl-2-propan-2-ylquinoline.

Molecular Properties

Compound Name4,8-dichloro-6-methyl-2-propan-2-ylquinoline
PubChem CID43668494
Molecular FormulaC13H13Cl2N
Molecular Weight254.16 g/mol
Exact Mass253.04
IUPAC Name4,8-dichloro-6-methyl-2-propan-2-ylquinoline
SMILESCc1cc(Cl)c2nc(C(C)C)cc(Cl)c2c1
InChIInChI=1S/C13H13Cl2N/c1-7(2)12-6-10(14)9-4-8(3)5-11(15)13(9)16-12/h4-7H,1-3H3
InChIKeyMUWXNKPFRQFFIQ-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6,8-tetrachloro-2-propan-2-ylquinoline
CID 43668528
4-chloro-8-methyl-2-propan-2-ylquinoline
CID 43668842
2-chloro-4-methyl-6-propan-2-ylpyridine
CID 55264286
8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine
CID 107607874
4,5-dichloro-8-methyl-2-propan-2-ylquinoline
CID 43668547
4-bromo-8-chloro-2,6-dimethylquinoline
CID 39346163
N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopropanamine
CID 82448545
(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82449533
(8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250595
4-chloro-2-ethyl-6,8-dimethylquinoline
CID 43668504
N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
CID 82448549
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-6-methyl-2-propan-2-ylquinoline?
The IUPAC name of 4,8-dichloro-6-methyl-2-propan-2-ylquinoline (CID 43668494) is 4,8-dichloro-6-methyl-2-propan-2-ylquinoline.
What is the SMILES notation for 4,8-dichloro-6-methyl-2-propan-2-ylquinoline?
The canonical SMILES for 4,8-dichloro-6-methyl-2-propan-2-ylquinoline is Cc1cc(Cl)c2nc(C(C)C)cc(Cl)c2c1.
What is the InChIKey of 4,8-dichloro-6-methyl-2-propan-2-ylquinoline?
The InChIKey is MUWXNKPFRQFFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N/c1-7(2)12-6-10(14)9-4-8(3)5-11(15)13(9)16-12/h4-7H,1-3H3.
What are the key properties of 4,8-dichloro-6-methyl-2-propan-2-ylquinoline?
4,8-dichloro-6-methyl-2-propan-2-ylquinoline has a molecular weight of 254.16 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-6-methyl-2-propan-2-ylquinoline is sourced from PubChem (CID 43668494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).