3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione

C24H33N3O4 — CID 56564223

IUPAC3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C24H33N3O4/c1-24(2)14-19-17(20(28)15-24)13-18(21(29)25-19)23(31)27-11-7-16(8-12-27)22(30)26-9-5-3-4-6-10-26/h13,16H,3-12,14-15H2,1-2H3,(H,25,29)
InChIKeyNNIQVQNTWQWLKH-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.78
Rot. Bonds2

About 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione

3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione (PubChem CID 56564223) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
PubChem CID56564223
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C24H33N3O4/c1-24(2)14-19-17(20(28)15-24)13-18(21(29)25-19)23(31)27-11-7-16(8-12-27)22(30)26-9-5-3-4-6-10-26/h13,16H,3-12,14-15H2,1-2H3,(H,25,29)
InChIKeyNNIQVQNTWQWLKH-UHFFFAOYSA-N
XLogP2.78
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione with MolForge

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Related Compounds

7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
CID 17020151
3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 56564846
1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56567035
3-(4-methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 36772912
7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565251
7,7-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
CID 56559881
ethyl 1-[2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate
CID 56565127
N,N-diethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495491
7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563593
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione;hydrochloride
CID 120736535
6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
CID 84675035
7,7-dimethyl-2,5-dioxo-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-6,8-dihydro-1H-quinoline-3-carbohydrazide
CID 56562121

Frequently Asked Questions

What is the IUPAC name of 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The IUPAC name of 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione (CID 56564223) is 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The canonical SMILES for 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)c2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c(=O)[nH]c2C1.
What is the InChIKey of 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The InChIKey is NNIQVQNTWQWLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-24(2)14-19-17(20(28)15-24)13-18(21(29)25-19)23(31)27-11-7-16(8-12-27)22(30)26-9-5-3-4-6-10-26/h13,16H,3-12,14-15H2,1-2H3,(H,25,29).
What are the key properties of 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione has a molecular weight of 427.55 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 56564223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).