7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide

C24H28N2O4 — CID 2951423

IUPAC7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide
SMILESCc1ccc(-n2c3c(cc(C(=O)NCC4CCCO4)c2=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H28N2O4/c1-15-6-8-16(9-7-15)26-20-12-24(2,3)13-21(27)18(20)11-19(23(26)29)22(28)25-14-17-5-4-10-30-17/h6-9,11,17H,4-5,10,12-14H2,1-3H3,(H,25,28)
InChIKeyDMZHBJXPXXCMBK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.21
Rot. Bonds4

About 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide

7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide (PubChem CID 2951423) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide
PubChem CID2951423
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide
SMILESCc1ccc(-n2c3c(cc(C(=O)NCC4CCCO4)c2=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H28N2O4/c1-15-6-8-16(9-7-15)26-20-12-24(2,3)13-21(27)18(20)11-19(23(26)29)22(28)25-14-17-5-4-10-30-17/h6-9,11,17H,4-5,10,12-14H2,1-3H3,(H,25,28)
InChIKeyDMZHBJXPXXCMBK-UHFFFAOYSA-N
XLogP3.21
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide with MolForge

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Related Compounds

1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089029
1-[(4-methylphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 43995954
1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
CID 71668941
1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
CID 5202932
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 28958348
1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate
CID 5085685

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide (CID 2951423) is 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide is Cc1ccc(-n2c3c(cc(C(=O)NCC4CCCO4)c2=O)C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide?
The InChIKey is DMZHBJXPXXCMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-15-6-8-16(9-7-15)26-20-12-24(2,3)13-21(27)18(20)11-19(23(26)29)22(28)25-14-17-5-4-10-30-17/h6-9,11,17H,4-5,10,12-14H2,1-3H3,(H,25,28).
What are the key properties of 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide?
7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 2951423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).