4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline

C20H23N — CID 134256191

IUPAC4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline
SMILESC#CCN1CCC(C)(C)c2cc(C#C/C(C)=C/C)ccc21
InChIInChI=1S/C20H23N/c1-6-13-21-14-12-20(4,5)18-15-17(10-11-19(18)21)9-8-16(3)7-2/h1,7,10-11,15H,12-14H2,2-5H3/b16-7+
InChIKeyNFFQOIGWAMZJFL-FRKPEAEDSA-N
MW277.41 g/mol
LogP4.13
Rot. Bonds1

About 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline

4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline (PubChem CID 134256191) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline.

Molecular Properties

Compound Name4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline
PubChem CID134256191
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline
SMILESC#CCN1CCC(C)(C)c2cc(C#C/C(C)=C/C)ccc21
InChIInChI=1S/C20H23N/c1-6-13-21-14-12-20(4,5)18-15-17(10-11-19(18)21)9-8-16(3)7-2/h1,7,10-11,15H,12-14H2,2-5H3/b16-7+
InChIKeyNFFQOIGWAMZJFL-FRKPEAEDSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline with MolForge

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Related Compounds

Dimetacrine
CID 94280
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
3,4-Dihydro-6-methyl-1(2H)-quinolinecarboxaldehyde
CID 98729
1-Ethyl-1,2,3,4-tetrahydroquinoline
CID 117428
1,2,3,4-Tetrahydro-1-methylquinoline
CID 68109
1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-methyl-
CID 377622
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-amine--hydrogen chloride (1/2)
CID 3043615
Quinoline, 1-butyl-1,2,3,4-tetrahydro-
CID 10241606
1-(1-Methyl-1,2,3,4-tetrahydroquinolin-6-YL)methanamine
CID 1112172
1-(2,4-dimethylphenyl)-4-[[(1S,2S)-2-methyl-2-phenylcyclopropyl]methyl]piperazine
CID 44579621
(1-Propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
CID 651423
8-(tert-Butyl)-1,2,3,4-tetrahydroquinoline
CID 3018593

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline?
The IUPAC name of 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline (CID 134256191) is 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline.
What is the SMILES notation for 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline?
The canonical SMILES for 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline is C#CCN1CCC(C)(C)c2cc(C#C/C(C)=C/C)ccc21.
What is the InChIKey of 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline?
The InChIKey is NFFQOIGWAMZJFL-FRKPEAEDSA-N. The full InChI is InChI=1S/C20H23N/c1-6-13-21-14-12-20(4,5)18-15-17(10-11-19(18)21)9-8-16(3)7-2/h1,7,10-11,15H,12-14H2,2-5H3/b16-7+.
What are the key properties of 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline?
4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline has a molecular weight of 277.41 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(E)-3-methylpent-3-en-1-ynyl]-1-prop-2-ynyl-2,3-dihydroquinoline is sourced from PubChem (CID 134256191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).