6-chloro-N-pentylquinolin-8-amine

C14H17ClN2 — CID 43672340

IUPAC6-chloro-N-pentylquinolin-8-amine
SMILESCCCCCNc1cc(Cl)cc2cccnc12
InChIInChI=1S/C14H17ClN2/c1-2-3-4-7-16-13-10-12(15)9-11-6-5-8-17-14(11)13/h5-6,8-10,16H,2-4,7H2,1H3
InChIKeyCXMUCBOGIMVICG-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.49
Rot. Bonds5

About 6-chloro-N-pentylquinolin-8-amine

6-chloro-N-pentylquinolin-8-amine (PubChem CID 43672340) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 6-chloro-N-pentylquinolin-8-amine.

Molecular Properties

Compound Name6-chloro-N-pentylquinolin-8-amine
PubChem CID43672340
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name6-chloro-N-pentylquinolin-8-amine
SMILESCCCCCNc1cc(Cl)cc2cccnc12
InChIInChI=1S/C14H17ClN2/c1-2-3-4-7-16-13-10-12(15)9-11-6-5-8-17-14(11)13/h5-6,8-10,16H,2-4,7H2,1H3
InChIKeyCXMUCBOGIMVICG-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.49
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

6-chloro-N-hexylquinolin-8-amine
CID 43672362
N-heptylquinolin-8-amine
CID 43130175
8-chloro-N-heptylquinolin-5-amine
CID 43731731
6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 43672377
(6-chloroquinolin-8-yl)hydrazine
CID 138505780
N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672427
N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672441
6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine
CID 115928687
6-chloro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 43672406
2-amino-N-(6-chloroquinolin-8-yl)pentanamide
CID 43698605
N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
CID 44568394
6-chloro-N-(4-methylcyclohexyl)quinolin-8-amine
CID 43672383

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-pentylquinolin-8-amine?
The IUPAC name of 6-chloro-N-pentylquinolin-8-amine (CID 43672340) is 6-chloro-N-pentylquinolin-8-amine.
What is the SMILES notation for 6-chloro-N-pentylquinolin-8-amine?
The canonical SMILES for 6-chloro-N-pentylquinolin-8-amine is CCCCCNc1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-pentylquinolin-8-amine?
The InChIKey is CXMUCBOGIMVICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-2-3-4-7-16-13-10-12(15)9-11-6-5-8-17-14(11)13/h5-6,8-10,16H,2-4,7H2,1H3.
What are the key properties of 6-chloro-N-pentylquinolin-8-amine?
6-chloro-N-pentylquinolin-8-amine has a molecular weight of 248.76 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pentylquinolin-8-amine is sourced from PubChem (CID 43672340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).