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

C18H23N3O3 — CID 71299357

IUPAC5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCc1ccc2c(c1)OC(N)=C1C(=O)N(CCCN(C)C)C(=O)CC12
InChIInChI=1S/C18H23N3O3/c1-11-5-6-12-13-10-15(22)21(8-4-7-20(2)3)18(23)16(13)17(19)24-14(12)9-11/h5-6,9,13H,4,7-8,10,19H2,1-3H3
InChIKeyZRRSQJPDILXYFT-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.35
Rot. Bonds4

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

5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299357) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299357
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCc1ccc2c(c1)OC(N)=C1C(=O)N(CCCN(C)C)C(=O)CC12
InChIInChI=1S/C18H23N3O3/c1-11-5-6-12-13-10-15(22)21(8-4-7-20(2)3)18(23)16(13)17(19)24-14(12)9-11/h5-6,9,13H,4,7-8,10,19H2,1-3H3
InChIKeyZRRSQJPDILXYFT-UHFFFAOYSA-N
XLogP1.35
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299357) is 5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCCN(C)C)C(=O)CC12.
What is the InChIKey of 5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is ZRRSQJPDILXYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-5-6-12-13-10-15(22)21(8-4-7-20(2)3)18(23)16(13)17(19)24-14(12)9-11/h5-6,9,13H,4,7-8,10,19H2,1-3H3.
What are the key properties of 5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[3-(dimethylamino)propyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).