5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

C24H20N2O3 — CID 71299354

IUPAC5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccc4ccccc34)C(=O)CC12
InChIInChI=1S/C24H20N2O3/c1-14-9-10-18-19-12-21(27)26(24(28)22(19)23(25)29-20(18)11-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-11,19H,12-13,25H2,1H3
InChIKeySGCWJPTVTAETDP-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.75
Rot. Bonds2

About 5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299354) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299354
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccc4ccccc34)C(=O)CC12
InChIInChI=1S/C24H20N2O3/c1-14-9-10-18-19-12-21(27)26(24(28)22(19)23(25)29-20(18)11-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-11,19H,12-13,25H2,1H3
InChIKeySGCWJPTVTAETDP-UHFFFAOYSA-N
XLogP3.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299354) is 5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is Cc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccc4ccccc34)C(=O)CC12.
What is the InChIKey of 5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is SGCWJPTVTAETDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-14-9-10-18-19-12-21(27)26(24(28)22(19)23(25)29-20(18)11-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-11,19H,12-13,25H2,1H3.
What are the key properties of 5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 384.44 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).