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

C14H15Cl2N — CID 63529211

IUPAC7-chloro-4-(2-chloropentan-3-yl)quinoline
SMILESCCC(c1ccnc2cc(Cl)ccc12)C(C)Cl
InChIInChI=1S/C14H15Cl2N/c1-3-11(9(2)15)12-6-7-17-14-8-10(16)4-5-13(12)14/h4-9,11H,3H2,1-2H3
InChIKeyDWMRZQBRJJJWBA-UHFFFAOYSA-N
MW268.19 g/mol
LogP5.01
Rot. Bonds3

About 7-chloro-4-(2-chloropentan-3-yl)quinoline

7-chloro-4-(2-chloropentan-3-yl)quinoline (PubChem CID 63529211) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is 7-chloro-4-(2-chloropentan-3-yl)quinoline.

Molecular Properties

Compound Name7-chloro-4-(2-chloropentan-3-yl)quinoline
PubChem CID63529211
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC Name7-chloro-4-(2-chloropentan-3-yl)quinoline
SMILESCCC(c1ccnc2cc(Cl)ccc12)C(C)Cl
InChIInChI=1S/C14H15Cl2N/c1-3-11(9(2)15)12-6-7-17-14-8-10(16)4-5-13(12)14/h4-9,11H,3H2,1-2H3
InChIKeyDWMRZQBRJJJWBA-UHFFFAOYSA-N
XLogP5.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.19
LogP ≤ 55.01
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

7-chloro-4-(5-ethylheptan-2-yl)quinoline
CID 175086073
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202
4,7-dichloroquinoline
CID 6866
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 158260964
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-chloropentan-3-yl)quinoline?
The IUPAC name of 7-chloro-4-(2-chloropentan-3-yl)quinoline (CID 63529211) is 7-chloro-4-(2-chloropentan-3-yl)quinoline.
What is the SMILES notation for 7-chloro-4-(2-chloropentan-3-yl)quinoline?
The canonical SMILES for 7-chloro-4-(2-chloropentan-3-yl)quinoline is CCC(c1ccnc2cc(Cl)ccc12)C(C)Cl.
What is the InChIKey of 7-chloro-4-(2-chloropentan-3-yl)quinoline?
The InChIKey is DWMRZQBRJJJWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N/c1-3-11(9(2)15)12-6-7-17-14-8-10(16)4-5-13(12)14/h4-9,11H,3H2,1-2H3.
What are the key properties of 7-chloro-4-(2-chloropentan-3-yl)quinoline?
7-chloro-4-(2-chloropentan-3-yl)quinoline has a molecular weight of 268.19 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-chloropentan-3-yl)quinoline is sourced from PubChem (CID 63529211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).