3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine

C16H19ClN2 — CID 79341321

IUPAC3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNCC(C)=Cc1cc2ccc(C)cc2nc1Cl
InChIInChI=1S/C16H19ClN2/c1-4-18-10-12(3)7-14-9-13-6-5-11(2)8-15(13)19-16(14)17/h5-9,18H,4,10H2,1-3H3
InChIKeyJVTUOWKJLNGZOP-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.21
Rot. Bonds4

About 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine

3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 79341321) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID79341321
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNCC(C)=Cc1cc2ccc(C)cc2nc1Cl
InChIInChI=1S/C16H19ClN2/c1-4-18-10-12(3)7-14-9-13-6-5-11(2)8-15(13)19-16(14)17/h5-9,18H,4,10H2,1-3H3
InChIKeyJVTUOWKJLNGZOP-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-2-methylprop-2-en-1-amine
CID 79343842
3-(2-chloro-8-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341211
2-[(2-chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile
CID 865887
(NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine
CID 51857757
ethyl (E)-3-(2-chloro-7-methylquinolin-3-yl)-2-cyanoprop-2-enoate
CID 865889
N-[(Z)-1-(2-chloro-7-methylquinolin-3-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 7640686
3-(2,4-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79340897
ethyl 3-(2-chloro-6-methylquinolin-3-yl)-2-cyanoprop-2-enoate
CID 865890
4-(2-chloro-7-methylquinolin-3-yl)-4-hydroxybutan-2-one
CID 10106830
1-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9176176
(E)-3-(2-chloro-7-methylquinolin-3-yl)-1-(2,5-dimethylthiophen-3-yl)prop-2-en-1-one
CID 57396404
(E)-3-(2-chloro-7-methylquinolin-3-yl)-1-(4-methylthiophen-2-yl)prop-2-en-1-one
CID 57401625

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine (CID 79341321) is 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine is CCNCC(C)=Cc1cc2ccc(C)cc2nc1Cl.
What is the InChIKey of 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is JVTUOWKJLNGZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-4-18-10-12(3)7-14-9-13-6-5-11(2)8-15(13)19-16(14)17/h5-9,18H,4,10H2,1-3H3.
What are the key properties of 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 274.80 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-7-methylquinolin-3-yl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79341321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).