6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane

C66H72F11N7O9 — CID 161362002

IUPAC6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane
SMILESC.CON(C)C(=O)c1cc(C(=O)NCC2CCCOC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.O=C(NCC1CCCOC1)c1cc(C(F)F)c2cc(C3CC3)cc(C(F)(F)F)c2n1.O=Cc1cc(C(=O)NCC2CCCOC2)nc2c(C(F)(F)F)cc(C3CC3)cc12
InChIInChI=1S/C23H26F3N3O4.C21H21F5N2O2.C21H21F3N2O3.CH4/c1-29(32-2)22(31)17-10-19(21(30)27-11-13-4-3-7-33-12-13)28-20-16(17)8-15(14-5-6-14)9-18(20)23(24,25)26;22-19(23)15-8-17(20(29)27-9-11-2-1-5-30-10-11)28-18-14(15)6-13(12-3-4-12)7-16(18)21(24,25)26;22-21(23,24)17-7-14(13-3-4-13)6-16-15(10-27)8-18(26-19(16)17)20(28)25-9-12-2-1-5-29-11-12;/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,27,30);6-8,11-12,19H,1-5,9-10H2,(H,27,29);6-8,10,12-13H,1-5,9,11H2,(H,25,28);1H4
InChIKeyVPHPQOUWVSMBPC-UHFFFAOYSA-N
MW1316.32 g/mol
LogP13.88
Rot. Bonds16

About 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane

6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane (PubChem CID 161362002) has the molecular formula C66H72F11N7O9 and a molecular weight of 1316.32 g/mol. Its IUPAC name is 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane.

Molecular Properties

Compound Name6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane
PubChem CID161362002
Molecular FormulaC66H72F11N7O9
Molecular Weight1316.32 g/mol
Exact Mass1315.52
IUPAC Name6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane
SMILESC.CON(C)C(=O)c1cc(C(=O)NCC2CCCOC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.O=C(NCC1CCCOC1)c1cc(C(F)F)c2cc(C3CC3)cc(C(F)(F)F)c2n1.O=Cc1cc(C(=O)NCC2CCCOC2)nc2c(C(F)(F)F)cc(C3CC3)cc12
InChIInChI=1S/C23H26F3N3O4.C21H21F5N2O2.C21H21F3N2O3.CH4/c1-29(32-2)22(31)17-10-19(21(30)27-11-13-4-3-7-33-12-13)28-20-16(17)8-15(14-5-6-14)9-18(20)23(24,25)26;22-19(23)15-8-17(20(29)27-9-11-2-1-5-30-10-11)28-18-14(15)6-13(12-3-4-12)7-16(18)21(24,25)26;22-21(23,24)17-7-14(13-3-4-13)6-16-15(10-27)8-18(26-19(16)17)20(28)25-9-12-2-1-5-29-11-12;/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,27,30);6-8,11-12,19H,1-5,9-10H2,(H,27,29);6-8,10,12-13H,1-5,9,11H2,(H,25,28);1H4
InChIKeyVPHPQOUWVSMBPC-UHFFFAOYSA-N
XLogP13.88
TPSA200.27 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.32
LogP ≤ 513.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane?
The IUPAC name of 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane (CID 161362002) is 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane.
What is the SMILES notation for 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane?
The canonical SMILES for 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane is C.CON(C)C(=O)c1cc(C(=O)NCC2CCCOC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.O=C(NCC1CCCOC1)c1cc(C(F)F)c2cc(C3CC3)cc(C(F)(F)F)c2n1.O=Cc1cc(C(=O)NCC2CCCOC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.
What is the InChIKey of 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane?
The InChIKey is VPHPQOUWVSMBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4.C21H21F5N2O2.C21H21F3N2O3.CH4/c1-29(32-2)22(31)17-10-19(21(30)27-11-13-4-3-7-33-12-13)28-20-16(17)8-15(14-5-6-14)9-18(20)23(24,25)26;22-19(23)15-8-17(20(29)27-9-11-2-1-5-30-10-11)28-18-14(15)6-13(12-3-4-12)7-16(18)21(24,25)26;22-21(23,24)17-7-14(13-3-4-13)6-16-15(10-27)8-18(26-19(16)17)20(28)25-9-12-2-1-5-29-11-12;/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,27,30);6-8,11-12,19H,1-5,9-10H2,(H,27,29);6-8,10,12-13H,1-5,9,11H2,(H,25,28);1H4.
What are the key properties of 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane?
6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane has a molecular weight of 1316.32 g/mol, XLogP of 13.88, 16 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(difluoromethyl)-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-formyl-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-N-methoxy-4-N-methyl-2-N-(oxan-3-ylmethyl)-8-(trifluoromethyl)quinoline-2,4-dicarboxamide;methane is sourced from PubChem (CID 161362002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).