7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C23H27N3O4 — CID 56563264

IUPAC7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C23H27N3O4/c1-14-10-15(26-6-8-30-9-7-26)4-5-18(14)24-21(28)17-11-16-19(25-22(17)29)12-23(2,3)13-20(16)27/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyOFAGECAVKAFUFM-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.93
Rot. Bonds3

About 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56563264) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56563264
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C23H27N3O4/c1-14-10-15(26-6-8-30-9-7-26)4-5-18(14)24-21(28)17-11-16-19(25-22(17)29)12-23(2,3)13-20(16)27/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyOFAGECAVKAFUFM-UHFFFAOYSA-N
XLogP2.93
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559994
N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559812
7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56561600
N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56566792
methyl 3-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]thiophene-2-carboxylate
CID 53007883
7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565626
N-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 22426570
N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 17020149
N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495488
3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid
CID 90893627
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567683
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 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56563264) is 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.
What is the InChIKey of 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is OFAGECAVKAFUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-14-10-15(26-6-8-30-9-7-26)4-5-18(14)24-21(28)17-11-16-19(25-22(17)29)12-23(2,3)13-20(16)27/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56563264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).