6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide

C22H25N3O3 — CID 167903422

IUPAC6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1(C)CCc2[nH]c(=O)c(C(=O)Nc3ccccc3C3CNC(=O)C3)cc2C1
InChIInChI=1S/C22H25N3O3/c1-22(2)8-7-17-13(11-22)9-16(20(27)24-17)21(28)25-18-6-4-3-5-15(18)14-10-19(26)23-12-14/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyDDIQUHWKKFHUFM-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.75
Rot. Bonds3

About 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide

6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 167903422) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID167903422
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1(C)CCc2[nH]c(=O)c(C(=O)Nc3ccccc3C3CNC(=O)C3)cc2C1
InChIInChI=1S/C22H25N3O3/c1-22(2)8-7-17-13(11-22)9-16(20(27)24-17)21(28)25-18-6-4-3-5-15(18)14-10-19(26)23-12-14/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyDDIQUHWKKFHUFM-UHFFFAOYSA-N
XLogP2.75
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
CID 66495211
N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167865040
N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 154840880
6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167796117
N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167895166
2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 127622913
N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66494953
N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495324
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide
CID 166277113
6,6-dimethyl-2-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 154840869
N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 56921443
2-oxo-N-quinolin-5-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 52898614

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide (CID 167903422) is 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide is CC1(C)CCc2[nH]c(=O)c(C(=O)Nc3ccccc3C3CNC(=O)C3)cc2C1.
What is the InChIKey of 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is DDIQUHWKKFHUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(2)8-7-17-13(11-22)9-16(20(27)24-17)21(28)25-18-6-4-3-5-15(18)14-10-19(26)23-12-14/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide?
6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 167903422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).