2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide

C16H20N2O4 — CID 35253026

IUPAC2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)[C@@H]1CCCO1
InChIInChI=1S/C16H20N2O4/c1-9(14-6-3-7-22-14)17-15(20)11-8-10-12(18-16(11)21)4-2-5-13(10)19/h8-9,14H,2-7H2,1H3,(H,17,20)(H,18,21)/t9-,14+/m1/s1
InChIKeyUWUOZWOLBQUTFB-OTYXRUKQSA-N
MW304.35 g/mol
LogP1.19
Rot. Bonds3

About 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide

2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 35253026) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID35253026
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)[C@@H]1CCCO1
InChIInChI=1S/C16H20N2O4/c1-9(14-6-3-7-22-14)17-15(20)11-8-10-12(18-16(11)21)4-2-5-13(10)19/h8-9,14H,2-7H2,1H3,(H,17,20)(H,18,21)/t9-,14+/m1/s1
InChIKeyUWUOZWOLBQUTFB-OTYXRUKQSA-N
XLogP1.19
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39485294
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
N-[1-(oxolan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581991
3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 36772912
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 35246882
2-anilino-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 42955770
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33330887

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 35253026) is 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide is C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)[C@@H]1CCCO1.
What is the InChIKey of 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is UWUOZWOLBQUTFB-OTYXRUKQSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-9(14-6-3-7-22-14)17-15(20)11-8-10-12(18-16(11)21)4-2-5-13(10)19/h8-9,14H,2-7H2,1H3,(H,17,20)(H,18,21)/t9-,14+/m1/s1.
What are the key properties of 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 35253026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).