7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide

C22H19F2N3O2 — CID 145333197

IUPAC7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide
SMILESC=C1CC(NC(=O)c2cnc3cc(OC(F)F)c(C)cc3c2)c2ccccc2N1
InChIInChI=1S/C22H19F2N3O2/c1-12-7-14-9-15(11-25-18(14)10-20(12)29-22(23)24)21(28)27-19-8-13(2)26-17-6-4-3-5-16(17)19/h3-7,9-11,19,22,26H,2,8H2,1H3,(H,27,28)
InChIKeyAQUTYDPEBGQIDX-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.95
Rot. Bonds4

About 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide

7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide (PubChem CID 145333197) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide
PubChem CID145333197
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide
SMILESC=C1CC(NC(=O)c2cnc3cc(OC(F)F)c(C)cc3c2)c2ccccc2N1
InChIInChI=1S/C22H19F2N3O2/c1-12-7-14-9-15(11-25-18(14)10-20(12)29-22(23)24)21(28)27-19-8-13(2)26-17-6-4-3-5-16(17)19/h3-7,9-11,19,22,26H,2,8H2,1H3,(H,27,28)
InChIKeyAQUTYDPEBGQIDX-UHFFFAOYSA-N
XLogP4.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide?
The IUPAC name of 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide (CID 145333197) is 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide is C=C1CC(NC(=O)c2cnc3cc(OC(F)F)c(C)cc3c2)c2ccccc2N1.
What is the InChIKey of 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide?
The InChIKey is AQUTYDPEBGQIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-12-7-14-9-15(11-25-18(14)10-20(12)29-22(23)24)21(28)27-19-8-13(2)26-17-6-4-3-5-16(17)19/h3-7,9-11,19,22,26H,2,8H2,1H3,(H,27,28).
What are the key properties of 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide?
7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-6-methyl-N-(2-methylidene-3,4-dihydro-1H-quinolin-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 145333197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).