(7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

C20H22N2O3 — CID 95554626

IUPAC(7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](C)CC3=O)cc1
InChIInChI=1S/C20H22N2O3/c1-11(2)13-4-6-14(7-5-13)21-19(24)16-10-15-17(22-20(16)25)8-12(3)9-18(15)23/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)(H,22,25)/t12-/m1/s1
InChIKeyJDMAOWBITDWRTN-GFCCVEGCSA-N
MW338.41 g/mol
LogP3.52
Rot. Bonds3

About (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

(7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 95554626) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID95554626
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](C)CC3=O)cc1
InChIInChI=1S/C20H22N2O3/c1-11(2)13-4-6-14(7-5-13)21-19(24)16-10-15-17(22-20(16)25)8-12(3)9-18(15)23/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)(H,22,25)/t12-/m1/s1
InChIKeyJDMAOWBITDWRTN-GFCCVEGCSA-N
XLogP3.52
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495570
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56920276
N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495324
N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56737934
N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56920687
2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 17036315
methyl 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17036302
7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043613
(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 29159336
7-methyl-2,5-dioxo-N-quinolin-5-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054909
N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086134
7,7-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560086

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 95554626) is (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide is CC(C)c1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](C)CC3=O)cc1.
What is the InChIKey of (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is JDMAOWBITDWRTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-11(2)13-4-6-14(7-5-13)21-19(24)16-10-15-17(22-20(16)25)8-12(3)9-18(15)23/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)(H,22,25)/t12-/m1/s1.
What are the key properties of (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
(7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 95554626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).