N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine

C16H21ClN2 — CID 114150940

IUPACN-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine
SMILESCc1cc(NCCCC(C)CCl)c2ccccc2n1
InChIInChI=1S/C16H21ClN2/c1-12(11-17)6-5-9-18-16-10-13(2)19-15-8-4-3-7-14(15)16/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,18,19)
InChIKeyNDHYVIHSUWDTRU-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.61
Rot. Bonds6

About N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine

N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine (PubChem CID 114150940) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine
PubChem CID114150940
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine
SMILESCc1cc(NCCCC(C)CCl)c2ccccc2n1
InChIInChI=1S/C16H21ClN2/c1-12(11-17)6-5-9-18-16-10-13(2)19-15-8-4-3-7-14(15)16/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,18,19)
InChIKeyNDHYVIHSUWDTRU-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.61
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-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
CID 106154673
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
CID 113484976
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133305648
2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine?
The IUPAC name of N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine (CID 114150940) is N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine is Cc1cc(NCCCC(C)CCl)c2ccccc2n1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine?
The InChIKey is NDHYVIHSUWDTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-12(11-17)6-5-9-18-16-10-13(2)19-15-8-4-3-7-14(15)16/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine?
N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine has a molecular weight of 276.81 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 114150940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).