(7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C15H20N2O3 — CID 95397499

IUPAC(7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCNC(=O)c1cc2c([nH]c1=O)C[C@H](C)CC2=O
InChIInChI=1S/C15H20N2O3/c1-3-4-5-16-14(19)11-8-10-12(17-15(11)20)6-9(2)7-13(10)18/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,20)/t9-/m0/s1
InChIKeyDONJVIOSJMZCJC-VIFPVBQESA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds4

About (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

(7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 95397499) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID95397499
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCNC(=O)c1cc2c([nH]c1=O)C[C@H](C)CC2=O
InChIInChI=1S/C15H20N2O3/c1-3-4-5-16-14(19)11-8-10-12(17-15(11)20)6-9(2)7-13(10)18/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,20)/t9-/m0/s1
InChIKeyDONJVIOSJMZCJC-VIFPVBQESA-N
XLogP1.67
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

(7R)-N-butyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397039
7-methyl-N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495563
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495383
N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495570
N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56920687
N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495324
(7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95554626
N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56737934
3-(4-ethylpiperazine-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 66495512
N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495461
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495467

Frequently Asked Questions

What is the IUPAC name of (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 95397499) is (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CCCCNC(=O)c1cc2c([nH]c1=O)C[C@H](C)CC2=O.
What is the InChIKey of (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is DONJVIOSJMZCJC-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-4-5-16-14(19)11-8-10-12(17-15(11)20)6-9(2)7-13(10)18/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,20)/t9-/m0/s1.
What are the key properties of (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
(7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 95397499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).