2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C22H17F2N3O — CID 4236204

IUPAC2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)C1c1ccccc1
InChIInChI=1S/C22H17F2N3O/c23-15-8-4-9-16(24)21(15)27-17-10-5-11-18(28)20(17)19(14(12-25)22(27)26)13-6-2-1-3-7-13/h1-4,6-9,19H,5,10-11,26H2
InChIKeyFQPTYJOPLZYVPR-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.27
Rot. Bonds2

About 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 4236204) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID4236204
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)C1c1ccccc1
InChIInChI=1S/C22H17F2N3O/c23-15-8-4-9-16(24)21(15)27-17-10-5-11-18(28)20(17)19(14(12-25)22(27)26)13-6-2-1-3-7-13/h1-4,6-9,19H,5,10-11,26H2
InChIKeyFQPTYJOPLZYVPR-UHFFFAOYSA-N
XLogP4.27
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 4236204) is 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)C1c1ccccc1.
What is the InChIKey of 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is FQPTYJOPLZYVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-15-8-4-9-16(24)21(15)27-17-10-5-11-18(28)20(17)19(14(12-25)22(27)26)13-6-2-1-3-7-13/h1-4,6-9,19H,5,10-11,26H2.
What are the key properties of 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 377.39 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 4236204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).