6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide

C26H28N2O2 — CID 167796117

IUPAC6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc3c([nH]c2=O)CCC(C)(C)C3)ccc1-c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-17-13-18(9-10-21(17)19-7-5-4-6-8-19)16-27-24(29)22-14-20-15-26(2,3)12-11-23(20)28-25(22)30/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyUIHIELNGZSRZBD-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.80
Rot. Bonds4

About 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide

6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 167796117) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID167796117
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc3c([nH]c2=O)CCC(C)(C)C3)ccc1-c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-17-13-18(9-10-21(17)19-7-5-4-6-8-19)16-27-24(29)22-14-20-15-26(2,3)12-11-23(20)28-25(22)30/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyUIHIELNGZSRZBD-UHFFFAOYSA-N
XLogP4.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

6,6-dimethyl-2-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 154840869
N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 154840880
N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167865040
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
2-[3-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246485
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
N-[(3-fluorophenyl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 51053291
6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167903422
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66502657
N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495485
2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 46964328
N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497970

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide (CID 167796117) is 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide is Cc1cc(CNC(=O)c2cc3c([nH]c2=O)CCC(C)(C)C3)ccc1-c1ccccc1.
What is the InChIKey of 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is UIHIELNGZSRZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-17-13-18(9-10-21(17)19-7-5-4-6-8-19)16-27-24(29)22-14-20-15-26(2,3)12-11-23(20)28-25(22)30/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 167796117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).