3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione

C23H31N3O5 — CID 177299744

IUPAC3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
SMILESCc1ccnc2c1C1CCC(CC1)OCC1N(CCCC13COCC(=O)N3)C(=O)CO2
InChIInChI=1S/C23H31N3O5/c1-15-7-9-24-22-21(15)16-3-5-17(6-4-16)30-11-18-23(14-29-12-19(27)25-23)8-2-10-26(18)20(28)13-31-22/h7,9,16-18H,2-6,8,10-14H2,1H3,(H,25,27)
InChIKeyQXHLPDROKRFVFA-UHFFFAOYSA-N
MW429.52 g/mol
LogP1.70
Rot. Bonds

About 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione

3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione (PubChem CID 177299744) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione.

Molecular Properties

Compound Name3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
PubChem CID177299744
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
SMILESCc1ccnc2c1C1CCC(CC1)OCC1N(CCCC13COCC(=O)N3)C(=O)CO2
InChIInChI=1S/C23H31N3O5/c1-15-7-9-24-22-21(15)16-3-5-17(6-4-16)30-11-18-23(14-29-12-19(27)25-23)8-2-10-26(18)20(28)13-31-22/h7,9,16-18H,2-6,8,10-14H2,1H3,(H,25,27)
InChIKeyQXHLPDROKRFVFA-UHFFFAOYSA-N
XLogP1.70
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione?
The IUPAC name of 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione (CID 177299744) is 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione.
What is the SMILES notation for 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione?
The canonical SMILES for 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione is Cc1ccnc2c1C1CCC(CC1)OCC1N(CCCC13COCC(=O)N3)C(=O)CO2.
What is the InChIKey of 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione?
The InChIKey is QXHLPDROKRFVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-15-7-9-24-22-21(15)16-3-5-17(6-4-16)30-11-18-23(14-29-12-19(27)25-23)8-2-10-26(18)20(28)13-31-22/h7,9,16-18H,2-6,8,10-14H2,1H3,(H,25,27).
What are the key properties of 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione?
3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione has a molecular weight of 429.52 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione is sourced from PubChem (CID 177299744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).