N-(5-chloropentyl)quinolin-4-amine

C14H17ClN2 — CID 107320544

IUPACN-(5-chloropentyl)quinolin-4-amine
SMILESClCCCCCNc1ccnc2ccccc12
InChIInChI=1S/C14H17ClN2/c15-9-4-1-5-10-16-14-8-11-17-13-7-3-2-6-12(13)14/h2-3,6-8,11H,1,4-5,9-10H2,(H,16,17)
InChIKeyVZRAPJUXYILBRR-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.06
Rot. Bonds6

About N-(5-chloropentyl)quinolin-4-amine

N-(5-chloropentyl)quinolin-4-amine (PubChem CID 107320544) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-(5-chloropentyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(5-chloropentyl)quinolin-4-amine
PubChem CID107320544
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-(5-chloropentyl)quinolin-4-amine
SMILESClCCCCCNc1ccnc2ccccc12
InChIInChI=1S/C14H17ClN2/c15-9-4-1-5-10-16-14-8-11-17-13-7-3-2-6-12(13)14/h2-3,6-8,11H,1,4-5,9-10H2,(H,16,17)
InChIKeyVZRAPJUXYILBRR-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
methyl 6-(quinolin-4-ylamino)hexanoate
CID 62005474
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
N-(4-chlorobutyl)cinnolin-4-amine
CID 106845043
N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine
CID 106142336
N-ethylquinolin-4-amine
CID 15306588
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine
CID 118576144
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
CID 11743869
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45262034

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)quinolin-4-amine?
The IUPAC name of N-(5-chloropentyl)quinolin-4-amine (CID 107320544) is N-(5-chloropentyl)quinolin-4-amine.
What is the SMILES notation for N-(5-chloropentyl)quinolin-4-amine?
The canonical SMILES for N-(5-chloropentyl)quinolin-4-amine is ClCCCCCNc1ccnc2ccccc12.
What is the InChIKey of N-(5-chloropentyl)quinolin-4-amine?
The InChIKey is VZRAPJUXYILBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-9-4-1-5-10-16-14-8-11-17-13-7-3-2-6-12(13)14/h2-3,6-8,11H,1,4-5,9-10H2,(H,16,17).
What are the key properties of N-(5-chloropentyl)quinolin-4-amine?
N-(5-chloropentyl)quinolin-4-amine has a molecular weight of 248.76 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)quinolin-4-amine is sourced from PubChem (CID 107320544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).