2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile

C22H16N4O3 — CID 5299353

IUPAC2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C22H16N4O3/c1-11-7-8-15-13(9-11)22(21(28)25-15)14(10-23)19(24)29-18-12-5-3-4-6-16(12)26(2)20(27)17(18)22/h3-9H,24H2,1-2H3,(H,25,28)
InChIKeyNRCVIQCBNVKWEC-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.17
Rot. Bonds

About 2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile

2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile (PubChem CID 5299353) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
PubChem CID5299353
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C22H16N4O3/c1-11-7-8-15-13(9-11)22(21(28)25-15)14(10-23)19(24)29-18-12-5-3-4-6-16(12)26(2)20(27)17(18)22/h3-9H,24H2,1-2H3,(H,25,28)
InChIKeyNRCVIQCBNVKWEC-UHFFFAOYSA-N
XLogP2.17
TPSA110.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-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-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile?
The IUPAC name of 2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile (CID 5299353) is 2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile?
The canonical SMILES for 2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile is Cc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21.
What is the InChIKey of 2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile?
The InChIKey is NRCVIQCBNVKWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c1-11-7-8-15-13(9-11)22(21(28)25-15)14(10-23)19(24)29-18-12-5-3-4-6-16(12)26(2)20(27)17(18)22/h3-9H,24H2,1-2H3,(H,25,28).
What are the key properties of 2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile?
2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile has a molecular weight of 384.40 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile is sourced from PubChem (CID 5299353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).