ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate

C17H22N4O2 — CID 169400109

IUPACethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1-c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C17H22N4O2/c1-4-23-17(22)16-15(18-20-19-16)13-7-8-14-12(10-13)6-5-9-21(14)11(2)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,19,20)
InChIKeyYMPASMJIVBTQPD-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.81
Rot. Bonds4

About ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate

ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate (PubChem CID 169400109) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate
PubChem CID169400109
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Nameethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1-c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C17H22N4O2/c1-4-23-17(22)16-15(18-20-19-16)13-7-8-14-12(10-13)6-5-9-21(14)11(2)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,19,20)
InChIKeyYMPASMJIVBTQPD-UHFFFAOYSA-N
XLogP2.81
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

(2,2,2-trifluoroacetyl) 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate
CID 155250379
ethyl 5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)-2H-triazole-4-carboxylate
CID 169400154
ethyl 5-(1-propan-2-ylindol-6-yl)-2H-triazole-4-carboxylate
CID 169400838
3-(5-ethoxycarbonyl-2H-triazol-4-yl)benzoic acid
CID 169399258
6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382795
ethyl 5-(3,4-difluorophenyl)-2H-triazole-4-carboxylate
CID 169399055
ethyl 5-[4-ethoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxylate
CID 169400888
ethyl 5-(3-ethoxy-4-propanoyloxyphenyl)-2H-triazole-4-carboxylate
CID 169400780
ethyl 5-(4-fluoro-3-methylphenyl)-2H-triazole-4-carboxylate
CID 169399097
ethyl 5-[3-(4-methylpiperazin-1-yl)phenyl]-2H-triazole-4-carboxylate
CID 169401471
ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate
CID 22091360
ethyl 5-[3-ethoxy-4-(4-methylbenzoyl)oxyphenyl]-2H-triazole-4-carboxylate
CID 169400777

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate?
The IUPAC name of ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate (CID 169400109) is ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate is CCOC(=O)c1n[nH]nc1-c1ccc2c(c1)CCCN2C(C)C.
What is the InChIKey of ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate?
The InChIKey is YMPASMJIVBTQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-23-17(22)16-15(18-20-19-16)13-7-8-14-12(10-13)6-5-9-21(14)11(2)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,19,20).
What are the key properties of ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate?
ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate is sourced from PubChem (CID 169400109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).