4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione

C13H10N2O2 — CID 171549932

IUPAC4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione
SMILESCc1[nH]c(=O)cc2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C13H10N2O2/c1-7-12-10(6-11(16)14-7)8-4-2-3-5-9(8)13(17)15-12/h2-6H,1H3,(H,14,16)(H,15,17)
InChIKeyOATXQWLBNATKAZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.68
Rot. Bonds

About 4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione

4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione (PubChem CID 171549932) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione.

Molecular Properties

Compound Name4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione
PubChem CID171549932
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione
SMILESCc1[nH]c(=O)cc2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C13H10N2O2/c1-7-12-10(6-11(16)14-7)8-4-2-3-5-9(8)13(17)15-12/h2-6H,1H3,(H,14,16)(H,15,17)
InChIKeyOATXQWLBNATKAZ-UHFFFAOYSA-N
XLogP1.68
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115028648
3-methyl-2H-2-benzazepine-1,5-dione
CID 15271398
3-methyl-5H-phenanthridin-6-one
CID 59877971
4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride
CID 175751706
3-chloro-4-methyl-2H-isoquinolin-1-one
CID 134913358
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
8-methyl-5H-phenanthridin-6-one
CID 102200304
ethane;3-methyl-2H-isoquinolin-1-one
CID 144810835
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione
CID 22971523
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291
3-methyl-2H-isoquinolin-1-one;3-methyl-4-nitro-2H-isoquinolin-1-one
CID 160598821

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione?
The IUPAC name of 4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione (CID 171549932) is 4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione.
What is the SMILES notation for 4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione?
The canonical SMILES for 4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione is Cc1[nH]c(=O)cc2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of 4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione?
The InChIKey is OATXQWLBNATKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-7-12-10(6-11(16)14-7)8-4-2-3-5-9(8)13(17)15-12/h2-6H,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione?
4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione has a molecular weight of 226.24 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-dihydrobenzo[c][1,7]naphthyridine-2,6-dione is sourced from PubChem (CID 171549932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).