3-(4-chloropentan-2-yl)quinoline

C14H16ClN — CID 64721460

IUPAC3-(4-chloropentan-2-yl)quinoline
SMILESCC(Cl)CC(C)c1cnc2ccccc2c1
InChIInChI=1S/C14H16ClN/c1-10(7-11(2)15)13-8-12-5-3-4-6-14(12)16-9-13/h3-6,8-11H,7H2,1-2H3
InChIKeyQIHHWKSCPDVNKC-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.36
Rot. Bonds3

About 3-(4-chloropentan-2-yl)quinoline

3-(4-chloropentan-2-yl)quinoline (PubChem CID 64721460) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-(4-chloropentan-2-yl)quinoline.

Molecular Properties

Compound Name3-(4-chloropentan-2-yl)quinoline
PubChem CID64721460
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name3-(4-chloropentan-2-yl)quinoline
SMILESCC(Cl)CC(C)c1cnc2ccccc2c1
InChIInChI=1S/C14H16ClN/c1-10(7-11(2)15)13-8-12-5-3-4-6-14(12)16-9-13/h3-6,8-11H,7H2,1-2H3
InChIKeyQIHHWKSCPDVNKC-UHFFFAOYSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 170836453
2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 57431929
N-ethyl-3-methyl-1-quinolin-3-ylpentan-1-amine
CID 115798075
1-quinolin-3-ylbutan-1-ol
CID 60924193
2-quinolin-3-ylbutanamide
CID 154121490
fluoro(quinolin-3-yl)methanol
CID 163892772
2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299
2-ethoxy-1-quinolin-3-ylpropan-1-amine
CID 64542181
2-methyl-N-propyl-1-quinolin-3-ylpropan-1-amine
CID 54861221
N-ethyl-3,4,4-trimethyl-1-quinolin-3-ylpentan-1-amine
CID 115797681
(5-methyl-1-quinolin-3-ylhexyl)hydrazine
CID 114276904
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropentan-2-yl)quinoline?
The IUPAC name of 3-(4-chloropentan-2-yl)quinoline (CID 64721460) is 3-(4-chloropentan-2-yl)quinoline.
What is the SMILES notation for 3-(4-chloropentan-2-yl)quinoline?
The canonical SMILES for 3-(4-chloropentan-2-yl)quinoline is CC(Cl)CC(C)c1cnc2ccccc2c1.
What is the InChIKey of 3-(4-chloropentan-2-yl)quinoline?
The InChIKey is QIHHWKSCPDVNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-10(7-11(2)15)13-8-12-5-3-4-6-14(12)16-9-13/h3-6,8-11H,7H2,1-2H3.
What are the key properties of 3-(4-chloropentan-2-yl)quinoline?
3-(4-chloropentan-2-yl)quinoline has a molecular weight of 233.74 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropentan-2-yl)quinoline is sourced from PubChem (CID 64721460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).