2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile

C28H19FN4O3 — CID 5299133

IUPAC2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
SMILESCn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C21C(=O)N(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C28H19FN4O3/c1-32-21-8-4-2-6-18(21)24-23(26(32)34)28(20(14-30)25(31)36-24)19-7-3-5-9-22(19)33(27(28)35)15-16-10-12-17(29)13-11-16/h2-13H,15,31H2,1H3
InChIKeyXTFWXPBORMZZHH-UHFFFAOYSA-N
MW478.48 g/mol
LogP3.60
Rot. Bonds2

About 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile

2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile (PubChem CID 5299133) has the molecular formula C28H19FN4O3 and a molecular weight of 478.48 g/mol. Its IUPAC name is 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
PubChem CID5299133
Molecular FormulaC28H19FN4O3
Molecular Weight478.48 g/mol
Exact Mass478.14
IUPAC Name2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
SMILESCn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C21C(=O)N(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C28H19FN4O3/c1-32-21-8-4-2-6-18(21)24-23(26(32)34)28(20(14-30)25(31)36-24)19-7-3-5-9-22(19)33(27(28)35)15-16-10-12-17(29)13-11-16/h2-13H,15,31H2,1H3
InChIKeyXTFWXPBORMZZHH-UHFFFAOYSA-N
XLogP3.60
TPSA101.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile?
The IUPAC name of 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile (CID 5299133) is 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile?
The canonical SMILES for 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile is Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C21C(=O)N(Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile?
The InChIKey is XTFWXPBORMZZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN4O3/c1-32-21-8-4-2-6-18(21)24-23(26(32)34)28(20(14-30)25(31)36-24)19-7-3-5-9-22(19)33(27(28)35)15-16-10-12-17(29)13-11-16/h2-13H,15,31H2,1H3.
What are the key properties of 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile?
2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile has a molecular weight of 478.48 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile is sourced from PubChem (CID 5299133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).