7-methylbenzo[b][1,10]phenanthroline-5,6-dione

C17H10N2O2 — CID 176653841

IUPAC7-methylbenzo[b][1,10]phenanthroline-5,6-dione
SMILESCc1c2c(nc3ccccc13)-c1ncccc1C(=O)C2=O
InChIInChI=1S/C17H10N2O2/c1-9-10-5-2-3-7-12(10)19-15-13(9)17(21)16(20)11-6-4-8-18-14(11)15/h2-8H,1H3
InChIKeyJDHZGEXGYAYIDL-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.98
Rot. Bonds

About 7-methylbenzo[b][1,10]phenanthroline-5,6-dione

7-methylbenzo[b][1,10]phenanthroline-5,6-dione (PubChem CID 176653841) has the molecular formula C17H10N2O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 7-methylbenzo[b][1,10]phenanthroline-5,6-dione.

Molecular Properties

Compound Name7-methylbenzo[b][1,10]phenanthroline-5,6-dione
PubChem CID176653841
Molecular FormulaC17H10N2O2
Molecular Weight274.28 g/mol
Exact Mass274.07
IUPAC Name7-methylbenzo[b][1,10]phenanthroline-5,6-dione
SMILESCc1c2c(nc3ccccc13)-c1ncccc1C(=O)C2=O
InChIInChI=1S/C17H10N2O2/c1-9-10-5-2-3-7-12(10)19-15-13(9)17(21)16(20)11-6-4-8-18-14(11)15/h2-8H,1H3
InChIKeyJDHZGEXGYAYIDL-UHFFFAOYSA-N
XLogP2.98
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

9,11-dimethylpyrido[2,3-b]acridine-5,12-dione
CID 10946126
9-(dimethylamino)-11-methylpyrido[2,3-b]acridine-5,12-dione
CID 11823262
naphtho[1,2-h]quinoline-11,12-dione
CID 126542594
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline
CID 67708124
6-methyl-7,8,9,10-tetrahydropyrido[3,2-b]acridine-5,12-dione
CID 15870607
10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 23245300
7-methylbenzo[a]anthracene-5,6-dione
CID 176653825
3-hydroxy-10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaen-8-one
CID 136734684
4,7-phenanthroline-5,6-dione
CID 6764
6-(3-phenylphenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one
CID 134604690
9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
CID 53473843

Frequently Asked Questions

What is the IUPAC name of 7-methylbenzo[b][1,10]phenanthroline-5,6-dione?
The IUPAC name of 7-methylbenzo[b][1,10]phenanthroline-5,6-dione (CID 176653841) is 7-methylbenzo[b][1,10]phenanthroline-5,6-dione.
What is the SMILES notation for 7-methylbenzo[b][1,10]phenanthroline-5,6-dione?
The canonical SMILES for 7-methylbenzo[b][1,10]phenanthroline-5,6-dione is Cc1c2c(nc3ccccc13)-c1ncccc1C(=O)C2=O.
What is the InChIKey of 7-methylbenzo[b][1,10]phenanthroline-5,6-dione?
The InChIKey is JDHZGEXGYAYIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2/c1-9-10-5-2-3-7-12(10)19-15-13(9)17(21)16(20)11-6-4-8-18-14(11)15/h2-8H,1H3.
What are the key properties of 7-methylbenzo[b][1,10]phenanthroline-5,6-dione?
7-methylbenzo[b][1,10]phenanthroline-5,6-dione has a molecular weight of 274.28 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbenzo[b][1,10]phenanthroline-5,6-dione is sourced from PubChem (CID 176653841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).