7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one

C30H28N4O2 — CID 167313380

IUPAC7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one
SMILESCCN(CC)c1ccc2c(c1)OC(=O)C1CN(C)C3(c4ccccc4-c4nc5ccccc5nc43)C21
InChIInChI=1S/C30H28N4O2/c1-4-34(5-2)18-14-15-20-25(16-18)36-29(35)21-17-33(3)30(26(20)21)22-11-7-6-10-19(22)27-28(30)32-24-13-9-8-12-23(24)31-27/h6-16,21,26H,4-5,17H2,1-3H3
InChIKeyBIZNNYCTOUPUEP-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.96
Rot. Bonds3

About 7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one

7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one (PubChem CID 167313380) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one.

Molecular Properties

Compound Name7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one
PubChem CID167313380
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one
SMILESCCN(CC)c1ccc2c(c1)OC(=O)C1CN(C)C3(c4ccccc4-c4nc5ccccc5nc43)C21
InChIInChI=1S/C30H28N4O2/c1-4-34(5-2)18-14-15-20-25(16-18)36-29(35)21-17-33(3)30(26(20)21)22-11-7-6-10-19(22)27-28(30)32-24-13-9-8-12-23(24)31-27/h6-16,21,26H,4-5,17H2,1-3H3
InChIKeyBIZNNYCTOUPUEP-UHFFFAOYSA-N
XLogP4.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one?
The IUPAC name of 7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one (CID 167313380) is 7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one.
What is the SMILES notation for 7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one?
The canonical SMILES for 7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one is CCN(CC)c1ccc2c(c1)OC(=O)C1CN(C)C3(c4ccccc4-c4nc5ccccc5nc43)C21.
What is the InChIKey of 7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one?
The InChIKey is BIZNNYCTOUPUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-4-34(5-2)18-14-15-20-25(16-18)36-29(35)21-17-33(3)30(26(20)21)22-11-7-6-10-19(22)27-28(30)32-24-13-9-8-12-23(24)31-27/h6-16,21,26H,4-5,17H2,1-3H3.
What are the key properties of 7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one?
7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one has a molecular weight of 476.58 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-methylspiro[3a,9b-dihydro-3H-chromeno[3,4-c]pyrrole-1,11'-indeno[1,2-b]quinoxaline]-4-one is sourced from PubChem (CID 167313380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).