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5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one

C24H25F2N5O — CID 162753638

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one
SMILESC/N=C/C(=C\N)c1cc2c(cc1C(F)F)N(c1cncc3c1cc(C)c(=O)n3C)CCC2
InChIInChI=1S/C24H25F2N5O/c1-14-7-19-21(30(3)24(14)32)12-29-13-22(19)31-6-4-5-15-8-17(16(10-27)11-28-2)18(23(25)26)9-20(15)31/h7-13,23H,4-6,27H2,1-3H3/b16-10+,28-11+
InChIKeyCNBCZSPKOLHRIJ-OYTONTLMSA-N
MW437.49 g/mol
LogP4.26
Rot. Bonds4

About 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one

5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one (PubChem CID 162753638) has the molecular formula C24H25F2N5O and a molecular weight of 437.49 g/mol. Its IUPAC name is 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one
PubChem CID162753638
Molecular FormulaC24H25F2N5O
Molecular Weight437.49 g/mol
Exact Mass437.20
IUPAC Name5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one
SMILESC/N=C/C(=C\N)c1cc2c(cc1C(F)F)N(c1cncc3c1cc(C)c(=O)n3C)CCC2
InChIInChI=1S/C24H25F2N5O/c1-14-7-19-21(30(3)24(14)32)12-29-13-22(19)31-6-4-5-15-8-17(16(10-27)11-28-2)18(23(25)26)9-20(15)31/h7-13,23H,4-6,27H2,1-3H3/b16-10+,28-11+
InChIKeyCNBCZSPKOLHRIJ-OYTONTLMSA-N
XLogP4.26
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one?
The IUPAC name of 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one (CID 162753638) is 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one.
What is the SMILES notation for 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one?
The canonical SMILES for 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one is C/N=C/C(=C\N)c1cc2c(cc1C(F)F)N(c1cncc3c1cc(C)c(=O)n3C)CCC2.
What is the InChIKey of 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one?
The InChIKey is CNBCZSPKOLHRIJ-OYTONTLMSA-N. The full InChI is InChI=1S/C24H25F2N5O/c1-14-7-19-21(30(3)24(14)32)12-29-13-22(19)31-6-4-5-15-8-17(16(10-27)11-28-2)18(23(25)26)9-20(15)31/h7-13,23H,4-6,27H2,1-3H3/b16-10+,28-11+.
What are the key properties of 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one?
5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one has a molecular weight of 437.49 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-1,7-naphthyridin-2-one is sourced from PubChem (CID 162753638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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