3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid

C19H16N4O3 — CID 25006149

IUPAC3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid
SMILESCn1nnc2c3c(ccc21)c(=O)c(C(=O)O)cn3CCc1ccccc1
InChIInChI=1S/C19H16N4O3/c1-22-15-8-7-13-17(16(15)20-21-22)23(11-14(18(13)24)19(25)26)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,25,26)
InChIKeyGTHUPPJOCSIGER-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.22
Rot. Bonds4

About 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid

3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid (PubChem CID 25006149) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid
PubChem CID25006149
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid
SMILESCn1nnc2c3c(ccc21)c(=O)c(C(=O)O)cn3CCc1ccccc1
InChIInChI=1S/C19H16N4O3/c1-22-15-8-7-13-17(16(15)20-21-22)23(11-14(18(13)24)19(25)26)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,25,26)
InChIKeyGTHUPPJOCSIGER-UHFFFAOYSA-N
XLogP2.22
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid with MolForge

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Related Compounds

5-Fluoro-1-[(2-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 46188031
5-fluoro-1-[(1-methyl-1H-indazol-5-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 54581661
5-Fluoro-1-[[4-(3-methylindazol-1-yl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46233033
1-[[4-(Benzotriazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46233062
1-Ethyl-6-fluoro-4-oxo-7-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]quinoline-3-carboxylic acid
CID 145949582
1-Ethyl-6-fluoro-7-[4-[[1-(4-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 145952463
9-Ethyl-2-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
CID 10016057
3,9-Diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
CID 10446688
9-Ethyl-3-methyl-6-oxo-triazolo[4,5-h]quinoline-7-carboxylic acid
CID 10468448
6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 10666714
6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 11794526
Ethyl 9-butyl-3-methyl-6-oxo-triazolo[4,5-h]quinoline-7-carboxylate
CID 23625755

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid (CID 25006149) is 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid is Cn1nnc2c3c(ccc21)c(=O)c(C(=O)O)cn3CCc1ccccc1.
What is the InChIKey of 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is GTHUPPJOCSIGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-22-15-8-7-13-17(16(15)20-21-22)23(11-14(18(13)24)19(25)26)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,25,26).
What are the key properties of 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid?
3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxo-9-(2-phenylethyl)triazolo[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 25006149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).