2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile

C24H19FN4O2 — CID 4916424

IUPAC2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
SMILESCN1C(=O)C2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c2ccccc21
InChIInChI=1S/C24H19FN4O2/c1-28-17-9-4-2-7-14(17)24(23(28)31)15(13-26)22(27)29(18-10-5-3-8-16(18)25)19-11-6-12-20(30)21(19)24/h2-5,7-10H,6,11-12,27H2,1H3
InChIKeyLDULXTCNMLRREK-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.26
Rot. Bonds1

About 2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile

2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile (PubChem CID 4916424) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
PubChem CID4916424
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
SMILESCN1C(=O)C2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c2ccccc21
InChIInChI=1S/C24H19FN4O2/c1-28-17-9-4-2-7-14(17)24(23(28)31)15(13-26)22(27)29(18-10-5-3-8-16(18)25)19-11-6-12-20(30)21(19)24/h2-5,7-10H,6,11-12,27H2,1H3
InChIKeyLDULXTCNMLRREK-UHFFFAOYSA-N
XLogP3.26
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?
The IUPAC name of 2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile (CID 4916424) is 2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?
The canonical SMILES for 2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile is CN1C(=O)C2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c2ccccc21.
What is the InChIKey of 2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?
The InChIKey is LDULXTCNMLRREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-28-17-9-4-2-7-14(17)24(23(28)31)15(13-26)22(27)29(18-10-5-3-8-16(18)25)19-11-6-12-20(30)21(19)24/h2-5,7-10H,6,11-12,27H2,1H3.
What are the key properties of 2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?
2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile has a molecular weight of 414.44 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 4916424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).