N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide

C19H22N2O4 — CID 101347881

IUPACN-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=CC3C(=O)CC(C)(C)CC3NC2=O)cc1
InChIInChI=1S/C19H22N2O4/c1-19(2)9-15-13(16(22)10-19)8-14(18(24)21-15)17(23)20-11-4-6-12(25-3)7-5-11/h4-8,13,15H,9-10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNTCOOEJZBSBRHJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.06
Rot. Bonds3

About N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide

N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 101347881) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID101347881
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=CC3C(=O)CC(C)(C)CC3NC2=O)cc1
InChIInChI=1S/C19H22N2O4/c1-19(2)9-15-13(16(22)10-19)8-14(18(24)21-15)17(23)20-11-4-6-12(25-3)7-5-11/h4-8,13,15H,9-10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNTCOOEJZBSBRHJ-UHFFFAOYSA-N
XLogP2.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
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CID 2866647
N-(4-methoxyphenyl)-3-(1,3,3-trimethyl-2-sulfanyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 90951374
(1R,4R)-N-(4-methoxyphenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 830402
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
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CID 102450234
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CID 1110822
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 17020149
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
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CID 657715

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide (CID 101347881) is N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide is COc1ccc(NC(=O)C2=CC3C(=O)CC(C)(C)CC3NC2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is NTCOOEJZBSBRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2)9-15-13(16(22)10-19)8-14(18(24)21-15)17(23)20-11-4-6-12(25-3)7-5-11/h4-8,13,15H,9-10H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide?
N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-4a,6,8,8a-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 101347881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).