1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione

C24H28N2O4 — CID 1307976

IUPAC1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione
SMILESCOc1ccc(-n2c3c(cc(C(=O)N4CCCCC4)c2=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H28N2O4/c1-24(2)14-20-18(21(27)15-24)13-19(22(28)25-11-5-4-6-12-25)23(29)26(20)16-7-9-17(30-3)10-8-16/h7-10,13H,4-6,11-12,14-15H2,1-3H3
InChIKeyCEONMGZLBHUPNY-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.63
Rot. Bonds3

About 1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione

1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione (PubChem CID 1307976) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione
PubChem CID1307976
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione
SMILESCOc1ccc(-n2c3c(cc(C(=O)N4CCCCC4)c2=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H28N2O4/c1-24(2)14-20-18(21(27)15-24)13-19(22(28)25-11-5-4-6-12-25)23(29)26(20)16-7-9-17(30-3)10-8-16/h7-10,13H,4-6,11-12,14-15H2,1-3H3
InChIKeyCEONMGZLBHUPNY-UHFFFAOYSA-N
XLogP3.63
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione (CID 1307976) is 1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione is COc1ccc(-n2c3c(cc(C(=O)N4CCCCC4)c2=O)C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione?
The InChIKey is CEONMGZLBHUPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-24(2)14-20-18(21(27)15-24)13-19(22(28)25-11-5-4-6-12-25)23(29)26(20)16-7-9-17(30-3)10-8-16/h7-10,13H,4-6,11-12,14-15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione?
1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione has a molecular weight of 408.50 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydroquinoline-2,5-dione is sourced from PubChem (CID 1307976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).