7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide

C24H23N3O3 — CID 4151364

IUPAC7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide
SMILESCC1(C)CC(=O)c2cc(C(=O)NNc3ccccc3)c(=O)n(-c3ccccc3)c2C1
InChIInChI=1S/C24H23N3O3/c1-24(2)14-20-18(21(28)15-24)13-19(22(29)26-25-16-9-5-3-6-10-16)23(30)27(20)17-11-7-4-8-12-17/h3-13,25H,14-15H2,1-2H3,(H,26,29)
InChIKeySOURRMNAILDJJO-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.75
Rot. Bonds4

About 7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide

7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide (PubChem CID 4151364) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide.

Molecular Properties

Compound Name7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide
PubChem CID4151364
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide
SMILESCC1(C)CC(=O)c2cc(C(=O)NNc3ccccc3)c(=O)n(-c3ccccc3)c2C1
InChIInChI=1S/C24H23N3O3/c1-24(2)14-20-18(21(28)15-24)13-19(22(29)26-25-16-9-5-3-6-10-16)23(30)27(20)17-11-7-4-8-12-17/h3-13,25H,14-15H2,1-2H3,(H,26,29)
InChIKeySOURRMNAILDJJO-UHFFFAOYSA-N
XLogP3.75
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide?
The IUPAC name of 7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide (CID 4151364) is 7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide.
What is the SMILES notation for 7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide?
The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide is CC1(C)CC(=O)c2cc(C(=O)NNc3ccccc3)c(=O)n(-c3ccccc3)c2C1.
What is the InChIKey of 7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide?
The InChIKey is SOURRMNAILDJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-24(2)14-20-18(21(28)15-24)13-19(22(29)26-25-16-9-5-3-6-10-16)23(30)27(20)17-11-7-4-8-12-17/h3-13,25H,14-15H2,1-2H3,(H,26,29).
What are the key properties of 7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide?
7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide has a molecular weight of 401.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,5-dioxo-N',1-diphenyl-6,8-dihydroquinoline-3-carbohydrazide is sourced from PubChem (CID 4151364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).