8-chloro-N-heptylquinolin-5-amine

C16H21ClN2 — CID 43731731

IUPAC8-chloro-N-heptylquinolin-5-amine
SMILESCCCCCCCNc1ccc(Cl)c2ncccc12
InChIInChI=1S/C16H21ClN2/c1-2-3-4-5-6-11-18-15-10-9-14(17)16-13(15)8-7-12-19-16/h7-10,12,18H,2-6,11H2,1H3
InChIKeySOWIPCIIDVRZKF-UHFFFAOYSA-N
MW276.81 g/mol
LogP5.27
Rot. Bonds7

About 8-chloro-N-heptylquinolin-5-amine

8-chloro-N-heptylquinolin-5-amine (PubChem CID 43731731) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 8-chloro-N-heptylquinolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-heptylquinolin-5-amine
PubChem CID43731731
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name8-chloro-N-heptylquinolin-5-amine
SMILESCCCCCCCNc1ccc(Cl)c2ncccc12
InChIInChI=1S/C16H21ClN2/c1-2-3-4-5-6-11-18-15-10-9-14(17)16-13(15)8-7-12-19-16/h7-10,12,18H,2-6,11H2,1H3
InChIKeySOWIPCIIDVRZKF-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.81
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
6-chloro-N-hexylquinolin-8-amine
CID 43672362
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
N-heptylquinolin-8-amine
CID 43130175
6-chloro-N-pentylquinolin-8-amine
CID 43672340
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
CID 43731668
8-chloro-N-ethylquinolin-4-amine
CID 62190462
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine
CID 66132568
2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine
CID 116783677
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-heptylquinolin-5-amine?
The IUPAC name of 8-chloro-N-heptylquinolin-5-amine (CID 43731731) is 8-chloro-N-heptylquinolin-5-amine.
What is the SMILES notation for 8-chloro-N-heptylquinolin-5-amine?
The canonical SMILES for 8-chloro-N-heptylquinolin-5-amine is CCCCCCCNc1ccc(Cl)c2ncccc12.
What is the InChIKey of 8-chloro-N-heptylquinolin-5-amine?
The InChIKey is SOWIPCIIDVRZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-2-3-4-5-6-11-18-15-10-9-14(17)16-13(15)8-7-12-19-16/h7-10,12,18H,2-6,11H2,1H3.
What are the key properties of 8-chloro-N-heptylquinolin-5-amine?
8-chloro-N-heptylquinolin-5-amine has a molecular weight of 276.81 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-heptylquinolin-5-amine is sourced from PubChem (CID 43731731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).