5-chloro-2-(3-methylbutan-2-yl)quinoline

C14H16ClN — CID 144941116

IUPAC5-chloro-2-(3-methylbutan-2-yl)quinoline
SMILESCC(C)C(C)c1ccc2c(Cl)cccc2n1
InChIInChI=1S/C14H16ClN/c1-9(2)10(3)13-8-7-11-12(15)5-4-6-14(11)16-13/h4-10H,1-3H3
InChIKeyITBUTTAOYHTIGW-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.65
Rot. Bonds2

About 5-chloro-2-(3-methylbutan-2-yl)quinoline

5-chloro-2-(3-methylbutan-2-yl)quinoline (PubChem CID 144941116) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 5-chloro-2-(3-methylbutan-2-yl)quinoline.

Molecular Properties

Compound Name5-chloro-2-(3-methylbutan-2-yl)quinoline
PubChem CID144941116
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name5-chloro-2-(3-methylbutan-2-yl)quinoline
SMILESCC(C)C(C)c1ccc2c(Cl)cccc2n1
InChIInChI=1S/C14H16ClN/c1-9(2)10(3)13-8-7-11-12(15)5-4-6-14(11)16-13/h4-10H,1-3H3
InChIKeyITBUTTAOYHTIGW-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-2-(3-methylbutan-2-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloroquinoline
CID 676552
5-chloro-2-(trifluoromethyl)quinoline
CID 10889765
2-fluoro-6-(3-methylbutan-2-yl)pyridine
CID 164552856
5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449891
5-methyl-2-(5-methylquinolin-2-yl)quinoline
CID 100918758
N-ethyl-2-propan-2-ylquinolin-5-amine
CID 118964430
2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate
CID 157094840
1-chloro-5-methylacridine
CID 150979007
2-(difluoromethyl)quinolin-5-ol
CID 137083349
(2,6-dichlorophenoxy)-tri(propan-2-yl)silane
CID 54182108
4-chloroquinoline;ethane
CID 91461667
ethane;2-propan-2-ylquinoline
CID 142538504

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylbutan-2-yl)quinoline?
The IUPAC name of 5-chloro-2-(3-methylbutan-2-yl)quinoline (CID 144941116) is 5-chloro-2-(3-methylbutan-2-yl)quinoline.
What is the SMILES notation for 5-chloro-2-(3-methylbutan-2-yl)quinoline?
The canonical SMILES for 5-chloro-2-(3-methylbutan-2-yl)quinoline is CC(C)C(C)c1ccc2c(Cl)cccc2n1.
What is the InChIKey of 5-chloro-2-(3-methylbutan-2-yl)quinoline?
The InChIKey is ITBUTTAOYHTIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-9(2)10(3)13-8-7-11-12(15)5-4-6-14(11)16-13/h4-10H,1-3H3.
What are the key properties of 5-chloro-2-(3-methylbutan-2-yl)quinoline?
5-chloro-2-(3-methylbutan-2-yl)quinoline has a molecular weight of 233.74 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methylbutan-2-yl)quinoline is sourced from PubChem (CID 144941116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).