3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine

C16H21ClN2 — CID 170866831

IUPAC3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine
SMILESCCc1cccc2cc(CCCN(C)C)c(Cl)nc12
InChIInChI=1S/C16H21ClN2/c1-4-12-7-5-8-13-11-14(9-6-10-19(2)3)16(17)18-15(12)13/h5,7-8,11H,4,6,9-10H2,1-3H3
InChIKeyWOSDRJPLISGNPN-UHFFFAOYSA-N
MW276.81 g/mol
LogP3.94
Rot. Bonds5

About 3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine

3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170866831) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine
PubChem CID170866831
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine
SMILESCCc1cccc2cc(CCCN(C)C)c(Cl)nc12
InChIInChI=1S/C16H21ClN2/c1-4-12-7-5-8-13-11-14(9-6-10-19(2)3)16(17)18-15(12)13/h5,7-8,11H,4,6,9-10H2,1-3H3
InChIKeyWOSDRJPLISGNPN-UHFFFAOYSA-N
XLogP3.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868293
3-tert-butyl-2-chloro-8-ethylquinoline
CID 63382109
3-(azidomethyl)-2-chloro-8-ethylquinoline
CID 46838842
2-chloro-3-ethyl-8-methylquinoline
CID 18523984
2-chloro-8-ethyl-3-propan-2-ylquinoline
CID 63531228
2,8-dichloro-3-propylquinoline
CID 63531217
3,8-diethylquinolin-2-amine
CID 17039687
3,8-diethylquinolin-2-amine;hydrochloride
CID 43866005
3-[3-(dimethylamino)propyl]-N,N-dimethylquinolin-2-amine
CID 170866839
4-(2-chloroquinolin-3-yl)butanoic acid
CID 116985219
N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine
CID 170865144
3,8-diethyl-N-methylquinolin-2-amine
CID 63232457

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine (CID 170866831) is 3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine is CCc1cccc2cc(CCCN(C)C)c(Cl)nc12.
What is the InChIKey of 3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is WOSDRJPLISGNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-4-12-7-5-8-13-11-14(9-6-10-19(2)3)16(17)18-15(12)13/h5,7-8,11H,4,6,9-10H2,1-3H3.
What are the key properties of 3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine?
3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 276.81 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).