5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

C23H21N3O4 — CID 71299392

IUPAC5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3c[nH]c4ccccc34)C(=O)CC12
InChIInChI=1S/C23H21N3O4/c1-29-14-6-7-16-17-11-20(27)26(23(28)21(17)22(24)30-19(16)10-14)9-8-13-12-25-18-5-3-2-4-15(13)18/h2-7,10,12,17,25H,8-9,11,24H2,1H3
InChIKeyMZFQICWVPLBEHT-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.82
Rot. Bonds4

About 5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299392) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299392
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3c[nH]c4ccccc34)C(=O)CC12
InChIInChI=1S/C23H21N3O4/c1-29-14-6-7-16-17-11-20(27)26(23(28)21(17)22(24)30-19(16)10-14)9-8-13-12-25-18-5-3-2-4-15(13)18/h2-7,10,12,17,25H,8-9,11,24H2,1H3
InChIKeyMZFQICWVPLBEHT-UHFFFAOYSA-N
XLogP2.82
TPSA97.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 71299394
5-amino-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 102166852
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
1-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110555707
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
3-ethylsulfanyl-1-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555711
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 3775891
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
1-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42952582
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-5,9b-dihydro-4aH-pyrimido[5,4-b]indol-4-one
CID 44572272
3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299392) is 5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3c[nH]c4ccccc34)C(=O)CC12.
What is the InChIKey of 5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is MZFQICWVPLBEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-29-14-6-7-16-17-11-20(27)26(23(28)21(17)22(24)30-19(16)10-14)9-8-13-12-25-18-5-3-2-4-15(13)18/h2-7,10,12,17,25H,8-9,11,24H2,1H3.
What are the key properties of 5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 403.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(1H-indol-3-yl)ethyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).