N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C22H24F2N2O5 — CID 56567467

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)ccc1OC(F)F
InChIInChI=1S/C22H24F2N2O5/c1-22(2)9-15-13(16(27)10-22)8-14(19(28)25-15)20(29)26(3)11-12-5-6-17(31-21(23)24)18(7-12)30-4/h5-8,21H,9-11H2,1-4H3,(H,25,28)
InChIKeyHBJPECLOWZVODH-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.41
Rot. Bonds6

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56567467) has the molecular formula C22H24F2N2O5 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56567467
Molecular FormulaC22H24F2N2O5
Molecular Weight434.44 g/mol
Exact Mass434.17
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)ccc1OC(F)F
InChIInChI=1S/C22H24F2N2O5/c1-22(2)9-15-13(16(27)10-22)8-14(19(28)25-15)20(29)26(3)11-12-5-6-17(31-21(23)24)18(7-12)30-4/h5-8,21H,9-11H2,1-4H3,(H,25,28)
InChIKeyHBJPECLOWZVODH-UHFFFAOYSA-N
XLogP3.41
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56567467) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is COc1cc(CN(C)C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is HBJPECLOWZVODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O5/c1-22(2)9-15-13(16(27)10-22)8-14(19(28)25-15)20(29)26(3)11-12-5-6-17(31-21(23)24)18(7-12)30-4/h5-8,21H,9-11H2,1-4H3,(H,25,28).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56567467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).