5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline

C163H208FN9 — CID 167614440

IUPAC5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(CF)CC3)cccc21.CC(C)N1CCCc2c(C#CC3CC3)cccc21.CCC1(C#Cc2cccc3c2CCCN3C(C)C)CC1.Cc1cc(C#CC2(C)CC2)c2c(c1)N(C(C)C)CCC2
InChIInChI=1S/2C19H25N.C18H22FN.5C18H23N.C17H21N/c1-14(2)20-11-5-6-17-16(7-8-19(4)9-10-19)12-15(3)13-18(17)20;1-4-19(12-13-19)11-10-16-7-5-9-18-17(16)8-6-14-20(18)15(2)3;1-14(2)20-12-4-6-16-15(5-3-7-17(16)20)8-9-18(13-19)10-11-18;5*1-14(2)19-13-5-7-16-15(6-4-8-17(16)19)9-10-18(3)11-12-18;1-13(2)18-12-4-6-16-15(5-3-7-17(16)18)11-10-14-8-9-14/h12-14H,5-6,9-11H2,1-4H3;5,7,9,15H,4,6,8,12-14H2,1-3H3;3,5,7,14H,4,6,10-13H2,1-2H3;5*4,6,8,14H,5,7,11-13H2,1-3H3;3,5,7,13-14H,4,6,8-9,12H2,1-2H3
InChIKeyLNPNWRJNMZJZNW-UHFFFAOYSA-N
MW2312.52 g/mol
LogP36.25
Rot. Bonds11

About 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline

5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 167614440) has the molecular formula C163H208FN9 and a molecular weight of 2312.52 g/mol. Its IUPAC name is 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID167614440
Molecular FormulaC163H208FN9
Molecular Weight2312.52 g/mol
Exact Mass2310.65
IUPAC Name5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(CF)CC3)cccc21.CC(C)N1CCCc2c(C#CC3CC3)cccc21.CCC1(C#Cc2cccc3c2CCCN3C(C)C)CC1.Cc1cc(C#CC2(C)CC2)c2c(c1)N(C(C)C)CCC2
InChIInChI=1S/2C19H25N.C18H22FN.5C18H23N.C17H21N/c1-14(2)20-11-5-6-17-16(7-8-19(4)9-10-19)12-15(3)13-18(17)20;1-4-19(12-13-19)11-10-16-7-5-9-18-17(16)8-6-14-20(18)15(2)3;1-14(2)20-12-4-6-16-15(5-3-7-17(16)20)8-9-18(13-19)10-11-18;5*1-14(2)19-13-5-7-16-15(6-4-8-17(16)19)9-10-18(3)11-12-18;1-13(2)18-12-4-6-16-15(5-3-7-17(16)18)11-10-14-8-9-14/h12-14H,5-6,9-11H2,1-4H3;5,7,9,15H,4,6,8,12-14H2,1-3H3;3,5,7,14H,4,6,10-13H2,1-2H3;5*4,6,8,14H,5,7,11-13H2,1-3H3;3,5,7,13-14H,4,6,8-9,12H2,1-2H3
InChIKeyLNPNWRJNMZJZNW-UHFFFAOYSA-N
XLogP36.25
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002312.52
LogP ≤ 536.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 167614440) is 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline is CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(C)CC3)cccc21.CC(C)N1CCCc2c(C#CC3(CF)CC3)cccc21.CC(C)N1CCCc2c(C#CC3CC3)cccc21.CCC1(C#Cc2cccc3c2CCCN3C(C)C)CC1.Cc1cc(C#CC2(C)CC2)c2c(c1)N(C(C)C)CCC2.
What is the InChIKey of 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is LNPNWRJNMZJZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H25N.C18H22FN.5C18H23N.C17H21N/c1-14(2)20-11-5-6-17-16(7-8-19(4)9-10-19)12-15(3)13-18(17)20;1-4-19(12-13-19)11-10-16-7-5-9-18-17(16)8-6-14-20(18)15(2)3;1-14(2)20-12-4-6-16-15(5-3-7-17(16)20)8-9-18(13-19)10-11-18;5*1-14(2)19-13-5-7-16-15(6-4-8-17(16)19)9-10-18(3)11-12-18;1-13(2)18-12-4-6-16-15(5-3-7-17(16)18)11-10-14-8-9-14/h12-14H,5-6,9-11H2,1-4H3;5,7,9,15H,4,6,8,12-14H2,1-3H3;3,5,7,14H,4,6,10-13H2,1-2H3;5*4,6,8,14H,5,7,11-13H2,1-3H3;3,5,7,13-14H,4,6,8-9,12H2,1-2H3.
What are the key properties of 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline?
5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 2312.52 g/mol, XLogP of 36.25, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethynyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-(1-ethylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;5-[2-[1-(fluoromethyl)cyclopropyl]ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;pentakis(5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline);7-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 167614440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).