7-chloro-4-(5-ethylheptan-2-yl)quinoline

C18H24ClN — CID 175086073

IUPAC7-chloro-4-(5-ethylheptan-2-yl)quinoline
SMILESCCC(CC)CCC(C)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H24ClN/c1-4-14(5-2)7-6-13(3)16-10-11-20-18-12-15(19)8-9-17(16)18/h8-14H,4-7H2,1-3H3
InChIKeyKDXMVIHLKPNDBF-UHFFFAOYSA-N
MW289.85 g/mol
LogP6.21
Rot. Bonds6

About 7-chloro-4-(5-ethylheptan-2-yl)quinoline

7-chloro-4-(5-ethylheptan-2-yl)quinoline (PubChem CID 175086073) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is 7-chloro-4-(5-ethylheptan-2-yl)quinoline.

Molecular Properties

Compound Name7-chloro-4-(5-ethylheptan-2-yl)quinoline
PubChem CID175086073
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC Name7-chloro-4-(5-ethylheptan-2-yl)quinoline
SMILESCCC(CC)CCC(C)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H24ClN/c1-4-14(5-2)7-6-13(3)16-10-11-20-18-12-15(19)8-9-17(16)18/h8-14H,4-7H2,1-3H3
InChIKeyKDXMVIHLKPNDBF-UHFFFAOYSA-N
XLogP6.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.85
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-4-(2-chloropentan-3-yl)quinoline
CID 63529211
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202
1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine
CID 69019434
4,7-dichloroquinoline
CID 6866
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(5-ethylheptan-2-yl)quinoline?
The IUPAC name of 7-chloro-4-(5-ethylheptan-2-yl)quinoline (CID 175086073) is 7-chloro-4-(5-ethylheptan-2-yl)quinoline.
What is the SMILES notation for 7-chloro-4-(5-ethylheptan-2-yl)quinoline?
The canonical SMILES for 7-chloro-4-(5-ethylheptan-2-yl)quinoline is CCC(CC)CCC(C)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(5-ethylheptan-2-yl)quinoline?
The InChIKey is KDXMVIHLKPNDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN/c1-4-14(5-2)7-6-13(3)16-10-11-20-18-12-15(19)8-9-17(16)18/h8-14H,4-7H2,1-3H3.
What are the key properties of 7-chloro-4-(5-ethylheptan-2-yl)quinoline?
7-chloro-4-(5-ethylheptan-2-yl)quinoline has a molecular weight of 289.85 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(5-ethylheptan-2-yl)quinoline is sourced from PubChem (CID 175086073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).