(2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane

C44H50F6N6O3 — CID 167637368

IUPAC(2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane
SMILESC.CN1c2ccc(F)cc2C(=O)CC12CCN(C(=O)NCc1ccc(F)cc1F)CC2.CN1c2ccc(F)cc2C(=O)CC12CCNCC2.NCc1ccc(F)cc1F
InChIInChI=1S/C22H22F3N3O2.C14H17FN2O.C7H7F2N.CH4/c1-27-19-5-4-15(23)10-17(19)20(29)12-22(27)6-8-28(9-7-22)21(30)26-13-14-2-3-16(24)11-18(14)25;1-17-12-3-2-10(15)8-11(12)13(18)9-14(17)4-6-16-7-5-14;8-6-2-1-5(4-10)7(9)3-6;/h2-5,10-11H,6-9,12-13H2,1H3,(H,26,30);2-3,8,16H,4-7,9H2,1H3;1-3H,4,10H2;1H4
InChIKeyOQZOXNVOWFQWAP-UHFFFAOYSA-N
MW824.91 g/mol
LogP7.90
Rot. Bonds3

About (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane

(2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane (PubChem CID 167637368) has the molecular formula C44H50F6N6O3 and a molecular weight of 824.91 g/mol. Its IUPAC name is (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane.

Molecular Properties

Compound Name(2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane
PubChem CID167637368
Molecular FormulaC44H50F6N6O3
Molecular Weight824.91 g/mol
Exact Mass824.38
IUPAC Name(2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane
SMILESC.CN1c2ccc(F)cc2C(=O)CC12CCN(C(=O)NCc1ccc(F)cc1F)CC2.CN1c2ccc(F)cc2C(=O)CC12CCNCC2.NCc1ccc(F)cc1F
InChIInChI=1S/C22H22F3N3O2.C14H17FN2O.C7H7F2N.CH4/c1-27-19-5-4-15(23)10-17(19)20(29)12-22(27)6-8-28(9-7-22)21(30)26-13-14-2-3-16(24)11-18(14)25;1-17-12-3-2-10(15)8-11(12)13(18)9-14(17)4-6-16-7-5-14;8-6-2-1-5(4-10)7(9)3-6;/h2-5,10-11H,6-9,12-13H2,1H3,(H,26,30);2-3,8,16H,4-7,9H2,1H3;1-3H,4,10H2;1H4
InChIKeyOQZOXNVOWFQWAP-UHFFFAOYSA-N
XLogP7.90
TPSA111.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.91
LogP ≤ 57.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane?
The IUPAC name of (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane (CID 167637368) is (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane.
What is the SMILES notation for (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane?
The canonical SMILES for (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane is C.CN1c2ccc(F)cc2C(=O)CC12CCN(C(=O)NCc1ccc(F)cc1F)CC2.CN1c2ccc(F)cc2C(=O)CC12CCNCC2.NCc1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane?
The InChIKey is OQZOXNVOWFQWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2.C14H17FN2O.C7H7F2N.CH4/c1-27-19-5-4-15(23)10-17(19)20(29)12-22(27)6-8-28(9-7-22)21(30)26-13-14-2-3-16(24)11-18(14)25;1-17-12-3-2-10(15)8-11(12)13(18)9-14(17)4-6-16-7-5-14;8-6-2-1-5(4-10)7(9)3-6;/h2-5,10-11H,6-9,12-13H2,1H3,(H,26,30);2-3,8,16H,4-7,9H2,1H3;1-3H,4,10H2;1H4.
What are the key properties of (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane?
(2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane has a molecular weight of 824.91 g/mol, XLogP of 7.90, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane is sourced from PubChem (CID 167637368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).