7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide

C24H30N2O3 — CID 23884754

IUPAC7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide
SMILESCC(C)N(C(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O)C(C)C
InChIInChI=1S/C24H30N2O3/c1-15(2)25(16(3)4)22(28)19-12-18-20(13-24(5,6)14-21(18)27)26(23(19)29)17-10-8-7-9-11-17/h7-12,15-16H,13-14H2,1-6H3
InChIKeyZLXQLAOCFDXVQU-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.25
Rot. Bonds4

About 7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide

7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide (PubChem CID 23884754) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide
PubChem CID23884754
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide
SMILESCC(C)N(C(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O)C(C)C
InChIInChI=1S/C24H30N2O3/c1-15(2)25(16(3)4)22(28)19-12-18-20(13-24(5,6)14-21(18)27)26(23(19)29)17-10-8-7-9-11-17/h7-12,15-16H,13-14H2,1-6H3
InChIKeyZLXQLAOCFDXVQU-UHFFFAOYSA-N
XLogP4.25
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide (CID 23884754) is 7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide is CC(C)N(C(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O)C(C)C.
What is the InChIKey of 7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide?
The InChIKey is ZLXQLAOCFDXVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-15(2)25(16(3)4)22(28)19-12-18-20(13-24(5,6)14-21(18)27)26(23(19)29)17-10-8-7-9-11-17/h7-12,15-16H,13-14H2,1-6H3.
What are the key properties of 7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide?
7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 23884754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).