7-chloro-4-(2-methylpropyl)quinoline

C13H14ClN — CID 57147452

IUPAC7-chloro-4-(2-methylpropyl)quinoline
SMILESCC(C)Cc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H14ClN/c1-9(2)7-10-5-6-15-13-8-11(14)3-4-12(10)13/h3-6,8-9H,7H2,1-2H3
InChIKeyPJYOQIXVSGUGPN-UHFFFAOYSA-N
MW219.72 g/mol
LogP4.09
Rot. Bonds2

About 7-chloro-4-(2-methylpropyl)quinoline

7-chloro-4-(2-methylpropyl)quinoline (PubChem CID 57147452) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 7-chloro-4-(2-methylpropyl)quinoline.

Molecular Properties

Compound Name7-chloro-4-(2-methylpropyl)quinoline
PubChem CID57147452
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name7-chloro-4-(2-methylpropyl)quinoline
SMILESCC(C)Cc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H14ClN/c1-9(2)7-10-5-6-15-13-8-11(14)3-4-12(10)13/h3-6,8-9H,7H2,1-2H3
InChIKeyPJYOQIXVSGUGPN-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-chloroquinolin-4-yl)-3-methyl-N-propylbutan-2-amine
CID 63202281
2-(7-chloroquinolin-4-yl)acetonitrile
CID 63203863
4,7-dichloroquinoline
CID 6866
7-chloro-4-(2-chloropentan-3-yl)quinoline
CID 63529211
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
7-chloro-4-(cyclohexylmethyl)quinoline
CID 122374976
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
CID 123684098
7-chloro-4-(5-ethylheptan-2-yl)quinoline
CID 175086073

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-methylpropyl)quinoline?
The IUPAC name of 7-chloro-4-(2-methylpropyl)quinoline (CID 57147452) is 7-chloro-4-(2-methylpropyl)quinoline.
What is the SMILES notation for 7-chloro-4-(2-methylpropyl)quinoline?
The canonical SMILES for 7-chloro-4-(2-methylpropyl)quinoline is CC(C)Cc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(2-methylpropyl)quinoline?
The InChIKey is PJYOQIXVSGUGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-9(2)7-10-5-6-15-13-8-11(14)3-4-12(10)13/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 7-chloro-4-(2-methylpropyl)quinoline?
7-chloro-4-(2-methylpropyl)quinoline has a molecular weight of 219.72 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-methylpropyl)quinoline is sourced from PubChem (CID 57147452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).