benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate

C24H18N2O6 — CID 3651092

IUPACbenzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate
SMILESCc1cc2c(c(=O)o1)C1(C(=O)Nc3ccccc31)C(C(=O)OCc1ccccc1)=C(N)O2
InChIInChI=1S/C24H18N2O6/c1-13-11-17-18(22(28)31-13)24(15-9-5-6-10-16(15)26-23(24)29)19(20(25)32-17)21(27)30-12-14-7-3-2-4-8-14/h2-11H,12,25H2,1H3,(H,26,29)
InChIKeyAZXZHKJFJFDRAZ-UHFFFAOYSA-N
MW430.42 g/mol
LogP2.49
Rot. Bonds3

About benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate

benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate (PubChem CID 3651092) has the molecular formula C24H18N2O6 and a molecular weight of 430.42 g/mol. Its IUPAC name is benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate.

Molecular Properties

Compound Namebenzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate
PubChem CID3651092
Molecular FormulaC24H18N2O6
Molecular Weight430.42 g/mol
Exact Mass430.12
IUPAC Namebenzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate
SMILESCc1cc2c(c(=O)o1)C1(C(=O)Nc3ccccc31)C(C(=O)OCc1ccccc1)=C(N)O2
InChIInChI=1S/C24H18N2O6/c1-13-11-17-18(22(28)31-13)24(15-9-5-6-10-16(15)26-23(24)29)19(20(25)32-17)21(27)30-12-14-7-3-2-4-8-14/h2-11H,12,25H2,1H3,(H,26,29)
InChIKeyAZXZHKJFJFDRAZ-UHFFFAOYSA-N
XLogP2.49
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate with MolForge

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Related Compounds

2-methoxyethyl (3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate
CID 39352088
butyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate
CID 17272756
benzyl (3R)-5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 1035785
ethyl (3S)-2'-amino-6'-benzyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 51567692
3-O'-benzyl 5-O'-methyl (3R)-2'-amino-6'-(methoxymethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 26914374
methyl (3S)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 7385076
benzyl (3S)-3'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,1'-pyrano[2,3-c]chromene]-2'-carboxylate
CID 94855555
ethyl (3S)-2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 6579444
ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 3580763
dipropan-2-yl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 3282502
ethyl (3S)-2'-amino-5'-cyano-2-oxo-6'-phenylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 7258485
ethyl 2'-amino-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]quinoline]-3'-carboxylate
CID 3162765

Frequently Asked Questions

What is the IUPAC name of benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate?
The IUPAC name of benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate (CID 3651092) is benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate.
What is the SMILES notation for benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate?
The canonical SMILES for benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate is Cc1cc2c(c(=O)o1)C1(C(=O)Nc3ccccc31)C(C(=O)OCc1ccccc1)=C(N)O2.
What is the InChIKey of benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate?
The InChIKey is AZXZHKJFJFDRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O6/c1-13-11-17-18(22(28)31-13)24(15-9-5-6-10-16(15)26-23(24)29)19(20(25)32-17)21(27)30-12-14-7-3-2-4-8-14/h2-11H,12,25H2,1H3,(H,26,29).
What are the key properties of benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate?
benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate has a molecular weight of 430.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate is sourced from PubChem (CID 3651092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).