N-(4-chlorobutyl)-2-methylquinolin-4-amine

C14H17ClN2 — CID 106845127

IUPACN-(4-chlorobutyl)-2-methylquinolin-4-amine
SMILESCc1cc(NCCCCCl)c2ccccc2n1
InChIInChI=1S/C14H17ClN2/c1-11-10-14(16-9-5-4-8-15)12-6-2-3-7-13(12)17-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyNBUOHSAYELAMEO-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.97
Rot. Bonds5

About N-(4-chlorobutyl)-2-methylquinolin-4-amine

N-(4-chlorobutyl)-2-methylquinolin-4-amine (PubChem CID 106845127) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-(4-chlorobutyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-chlorobutyl)-2-methylquinolin-4-amine
PubChem CID106845127
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-(4-chlorobutyl)-2-methylquinolin-4-amine
SMILESCc1cc(NCCCCCl)c2ccccc2n1
InChIInChI=1S/C14H17ClN2/c1-11-10-14(16-9-5-4-8-15)12-6-2-3-7-13(12)17-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyNBUOHSAYELAMEO-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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

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-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine
CID 114150940
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine
CID 71210633
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333
1,1-diiodo-N,N'-bis(2-methylquinolin-4-yl)octane-1,8-diamine;hydrate
CID 141305171
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-2-methylquinolin-4-amine?
The IUPAC name of N-(4-chlorobutyl)-2-methylquinolin-4-amine (CID 106845127) is N-(4-chlorobutyl)-2-methylquinolin-4-amine.
What is the SMILES notation for N-(4-chlorobutyl)-2-methylquinolin-4-amine?
The canonical SMILES for N-(4-chlorobutyl)-2-methylquinolin-4-amine is Cc1cc(NCCCCCl)c2ccccc2n1.
What is the InChIKey of N-(4-chlorobutyl)-2-methylquinolin-4-amine?
The InChIKey is NBUOHSAYELAMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-11-10-14(16-9-5-4-8-15)12-6-2-3-7-13(12)17-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-(4-chlorobutyl)-2-methylquinolin-4-amine?
N-(4-chlorobutyl)-2-methylquinolin-4-amine has a molecular weight of 248.76 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 106845127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).