7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C22H20N2O3 — CID 17036405

IUPAC7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3cccc4ccccc34)c(=O)[nH]c2C1
InChIInChI=1S/C22H20N2O3/c1-22(2)11-18-15(19(25)12-22)10-16(21(27)24-18)20(26)23-17-9-5-7-13-6-3-4-8-14(13)17/h3-10H,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXGJCFPBGBKPYGK-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.94
Rot. Bonds2

About 7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 17036405) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID17036405
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3cccc4ccccc34)c(=O)[nH]c2C1
InChIInChI=1S/C22H20N2O3/c1-22(2)11-18-15(19(25)12-22)10-16(21(27)24-18)20(26)23-17-9-5-7-13-6-3-4-8-14(13)17/h3-10H,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXGJCFPBGBKPYGK-UHFFFAOYSA-N
XLogP3.94
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 17036405) is 7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3cccc4ccccc34)c(=O)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is XGJCFPBGBKPYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-22(2)11-18-15(19(25)12-22)10-16(21(27)24-18)20(26)23-17-9-5-7-13-6-3-4-8-14(13)17/h3-10H,11-12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-naphthalen-1-yl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17036405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).