1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one

C17H20N6O2 — CID 138995695

IUPAC1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
SMILESO=C(CN1C(=O)CCc2ccccc21)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C17H20N6O2/c24-15-8-7-12-4-1-2-6-14(12)23(15)11-16(25)22-9-3-5-13(10-22)17-18-20-21-19-17/h1-2,4,6,13H,3,5,7-11H2,(H,18,19,20,21)
InChIKeyXYCRXXNCXCTBDI-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.89
Rot. Bonds3

About 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one

1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 138995695) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
PubChem CID138995695
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
SMILESO=C(CN1C(=O)CCc2ccccc21)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C17H20N6O2/c24-15-8-7-12-4-1-2-6-14(12)23(15)11-16(25)22-9-3-5-13(10-22)17-18-20-21-19-17/h1-2,4,6,13H,3,5,7-11H2,(H,18,19,20,21)
InChIKeyXYCRXXNCXCTBDI-UHFFFAOYSA-N
XLogP0.89
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
4-[2-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 138996519
(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 97086390
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 97086387
1-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 97271132
4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 9233536
1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
CID 72928258
1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 75456510
5-methyl-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118273
1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride
CID 119403364
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 136526702

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one (CID 138995695) is 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one is O=C(CN1C(=O)CCc2ccccc21)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is XYCRXXNCXCTBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-15-8-7-12-4-1-2-6-14(12)23(15)11-16(25)22-9-3-5-13(10-22)17-18-20-21-19-17/h1-2,4,6,13H,3,5,7-11H2,(H,18,19,20,21).
What are the key properties of 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one?
1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 340.39 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 138995695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).