N-[2-(2-chloroethyl)pentyl]quinolin-4-amine

C16H21ClN2 — CID 106117398

IUPACN-[2-(2-chloroethyl)pentyl]quinolin-4-amine
SMILESCCCC(CCCl)CNc1ccnc2ccccc12
InChIInChI=1S/C16H21ClN2/c1-2-5-13(8-10-17)12-19-16-9-11-18-15-7-4-3-6-14(15)16/h3-4,6-7,9,11,13H,2,5,8,10,12H2,1H3,(H,18,19)
InChIKeyVMRQUAZREUTMNR-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.69
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]quinolin-4-amine

N-[2-(2-chloroethyl)pentyl]quinolin-4-amine (PubChem CID 106117398) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]quinolin-4-amine
PubChem CID106117398
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-[2-(2-chloroethyl)pentyl]quinolin-4-amine
SMILESCCCC(CCCl)CNc1ccnc2ccccc12
InChIInChI=1S/C16H21ClN2/c1-2-5-13(8-10-17)12-19-16-9-11-18-15-7-4-3-6-14(15)16/h3-4,6-7,9,11,13H,2,5,8,10,12H2,1H3,(H,18,19)
InChIKeyVMRQUAZREUTMNR-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(quinolin-4-ylamino)pentan-2-ol
CID 113234733
1-N-quinolin-4-ylbutane-1,2-diamine
CID 63730587
N-(2-methylbutyl)quinolin-4-amine
CID 62694785
N-(2-chloro-3-ethylpentyl)quinolin-4-amine
CID 106287021
N-ethylquinolin-4-amine
CID 15306588
3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol
CID 103705122
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263
N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine
CID 106142336
N-(1-chlorobutan-2-yl)quinolin-4-amine
CID 65030067
3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine
CID 140608178

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]quinolin-4-amine?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]quinolin-4-amine (CID 106117398) is N-[2-(2-chloroethyl)pentyl]quinolin-4-amine.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]quinolin-4-amine?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]quinolin-4-amine is CCCC(CCCl)CNc1ccnc2ccccc12.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]quinolin-4-amine?
The InChIKey is VMRQUAZREUTMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-2-5-13(8-10-17)12-19-16-9-11-18-15-7-4-3-6-14(15)16/h3-4,6-7,9,11,13H,2,5,8,10,12H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]quinolin-4-amine?
N-[2-(2-chloroethyl)pentyl]quinolin-4-amine has a molecular weight of 276.81 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]quinolin-4-amine is sourced from PubChem (CID 106117398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).