6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione

C20H19N3O2 — CID 127044412

IUPAC6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione
SMILESCN(C)CCCn1c2c(c3cccnc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H19N3O2/c1-22(2)11-6-12-23-18-13-7-3-4-8-14(13)19(24)16(18)15-9-5-10-21-17(15)20(23)25/h3-5,7-10H,6,11-12H2,1-2H3
InChIKeyMSWCRZLSBRLHJS-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.56
Rot. Bonds4

About 6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione

6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione (PubChem CID 127044412) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione
PubChem CID127044412
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione
SMILESCN(C)CCCn1c2c(c3cccnc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H19N3O2/c1-22(2)11-6-12-23-18-13-7-3-4-8-14(13)19(24)16(18)15-9-5-10-21-17(15)20(23)25/h3-5,7-10H,6,11-12H2,1-2H3
InChIKeyMSWCRZLSBRLHJS-UHFFFAOYSA-N
XLogP2.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione?
The IUPAC name of 6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione (CID 127044412) is 6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione.
What is the SMILES notation for 6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione?
The canonical SMILES for 6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione is CN(C)CCCn1c2c(c3cccnc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione?
The InChIKey is MSWCRZLSBRLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-22(2)11-6-12-23-18-13-7-3-4-8-14(13)19(24)16(18)15-9-5-10-21-17(15)20(23)25/h3-5,7-10H,6,11-12H2,1-2H3.
What are the key properties of 6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione?
6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione has a molecular weight of 333.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl]indeno[2,1-f][1,7]naphthyridine-5,11-dione is sourced from PubChem (CID 127044412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).