ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate

C19H22N4O4 — CID 127042016

IUPACethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(-n3cc(C(C)(C)O)nn3)cc2c1=O
InChIInChI=1S/C19H22N4O4/c1-5-22-10-14(18(25)27-6-2)17(24)13-9-12(7-8-15(13)22)23-11-16(20-21-23)19(3,4)26/h7-11,26H,5-6H2,1-4H3
InChIKeyDUTXCTBTCIUXMP-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.01
Rot. Bonds5

About ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate

ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate (PubChem CID 127042016) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate
PubChem CID127042016
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Nameethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(-n3cc(C(C)(C)O)nn3)cc2c1=O
InChIInChI=1S/C19H22N4O4/c1-5-22-10-14(18(25)27-6-2)17(24)13-9-12(7-8-15(13)22)23-11-16(20-21-23)19(3,4)26/h7-11,26H,5-6H2,1-4H3
InChIKeyDUTXCTBTCIUXMP-UHFFFAOYSA-N
XLogP2.01
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-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

ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481
ethyl 6-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1-ethyl-4-oxoquinoline-3-carboxylate
CID 139227438
ethyl 7-chloro-6-fluoro-4-oxo-1-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]quinoline-3-carboxylate
CID 139224733
2-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-2-ol
CID 71594875
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
ethyl 1-ethyl-6-[(E)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]prop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 57402914
ethyl 6-chloro-7-cyano-1-ethyl-4-oxoquinoline-3-carboxylate
CID 15050577
ethyl 6-chloro-4-oxo-1-prop-2-enylquinoline-3-carboxylate
CID 166001599
ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate
CID 39851086
ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate
CID 68800282
ethyl 1-ethyl-7-(2-methyl-1,3-thiazol-5-yl)-4-oxoquinoline-3-carboxylate
CID 10088750
ethyl 1-ethyl-5,6-dihydroxy-4-oxoquinoline-3-carboxylate
CID 86732826

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate (CID 127042016) is ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2ccc(-n3cc(C(C)(C)O)nn3)cc2c1=O.
What is the InChIKey of ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate?
The InChIKey is DUTXCTBTCIUXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-5-22-10-14(18(25)27-6-2)17(24)13-9-12(7-8-15(13)22)23-11-16(20-21-23)19(3,4)26/h7-11,26H,5-6H2,1-4H3.
What are the key properties of ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate?
ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 127042016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).