N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H21N5O3 — CID 70729514

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCn1cnnc1CCNC(=O)C1CC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C17H21N5O3/c1-3-22-10-19-21-15(22)6-7-18-17(24)13-9-16(23)20-14-5-4-11(25-2)8-12(13)14/h4-5,8,10,13H,3,6-7,9H2,1-2H3,(H,18,24)(H,20,23)
InChIKeyBDUXMGSFMYQTLK-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.09
Rot. Bonds6

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 70729514) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID70729514
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCn1cnnc1CCNC(=O)C1CC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C17H21N5O3/c1-3-22-10-19-21-15(22)6-7-18-17(24)13-9-16(23)20-14-5-4-11(25-2)8-12(13)14/h4-5,8,10,13H,3,6-7,9H2,1-2H3,(H,18,24)(H,20,23)
InChIKeyBDUXMGSFMYQTLK-UHFFFAOYSA-N
XLogP1.09
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

(4R)-6-methoxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97144072
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70767350
(4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95120815
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 167907158
6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70773066
(4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97147593
6-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70752855
5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70783327
(4S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97127436
(4S)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97132022
(4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97123757
6-methoxy-2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70778095

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 70729514) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCn1cnnc1CCNC(=O)C1CC(=O)Nc2ccc(OC)cc21.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is BDUXMGSFMYQTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-3-22-10-19-21-15(22)6-7-18-17(24)13-9-16(23)20-14-5-4-11(25-2)8-12(13)14/h4-5,8,10,13H,3,6-7,9H2,1-2H3,(H,18,24)(H,20,23).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 70729514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).