3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione

C15H13N3O2 — CID 10880058

IUPAC3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione
SMILESCN(C)Cc1cnc2c(c1)C(=O)c1cccnc1C2=O
InChIInChI=1S/C15H13N3O2/c1-18(2)8-9-6-11-13(17-7-9)15(20)12-10(14(11)19)4-3-5-16-12/h3-7H,8H2,1-2H3
InChIKeyHVNHQGGAULJAGV-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.31
Rot. Bonds2

About 3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione

3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione (PubChem CID 10880058) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione
PubChem CID10880058
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione
SMILESCN(C)Cc1cnc2c(c1)C(=O)c1cccnc1C2=O
InChIInChI=1S/C15H13N3O2/c1-18(2)8-9-6-11-13(17-7-9)15(20)12-10(14(11)19)4-3-5-16-12/h3-7H,8H2,1-2H3
InChIKeyHVNHQGGAULJAGV-UHFFFAOYSA-N
XLogP1.31
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione
CID 11141199
3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione
CID 10018090
(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate
CID 11809932
5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
CID 177439145
4,7-phenanthroline-5,6-dione
CID 6764
3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione
CID 12020016
2-(dimethylamino)naphtho[2,1-g]quinoline-7,12-dione
CID 23239458
4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde
CID 142308030
6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 15480973
9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione
CID 11823262
3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione
CID 14357762
8-iminoquinoline-5,6-dione
CID 90904484

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione?
The IUPAC name of 3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione (CID 10880058) is 3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione.
What is the SMILES notation for 3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione?
The canonical SMILES for 3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione is CN(C)Cc1cnc2c(c1)C(=O)c1cccnc1C2=O.
What is the InChIKey of 3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione?
The InChIKey is HVNHQGGAULJAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18(2)8-9-6-11-13(17-7-9)15(20)12-10(14(11)19)4-3-5-16-12/h3-7H,8H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione?
3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione has a molecular weight of 267.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione is sourced from PubChem (CID 10880058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).