5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde

C18H12N2O2 — CID 137224351

IUPAC5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde
SMILESCc1ccc2nc3c(C=O)c(O)c4ccccc4c3nc2c1
InChIInChI=1S/C18H12N2O2/c1-10-6-7-14-15(8-10)20-16-11-4-2-3-5-12(11)18(22)13(9-21)17(16)19-14/h2-9,22H,1H3
InChIKeySUTBQEGSCWNORR-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.76
Rot. Bonds1

About 5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde

5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde (PubChem CID 137224351) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde
PubChem CID137224351
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde
SMILESCc1ccc2nc3c(C=O)c(O)c4ccccc4c3nc2c1
InChIInChI=1S/C18H12N2O2/c1-10-6-7-14-15(8-10)20-16-11-4-2-3-5-12(11)18(22)13(9-21)17(16)19-14/h2-9,22H,1H3
InChIKeySUTBQEGSCWNORR-UHFFFAOYSA-N
XLogP3.76
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-methylphenazin-1-ol
CID 137287576
11-methylphenanthro[9,10-b]quinoline
CID 14913507
N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
CID 2857830
1-hydroxy-6-methylnaphthalene-2-carbaldehyde
CID 90141664
7-methylphenazin-2-ol
CID 135430298
6,9,10-trichlorobenzo[a]phenazin-5-ol
CID 137098744
3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde
CID 59553034
3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid
CID 118343546
2-methylphenanthridine
CID 14384826
phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
CID 3122495
2,3,4-trihydroxynaphthalene-1-carbaldehyde
CID 19689107
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde?
The IUPAC name of 5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde (CID 137224351) is 5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde.
What is the SMILES notation for 5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde?
The canonical SMILES for 5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde is Cc1ccc2nc3c(C=O)c(O)c4ccccc4c3nc2c1.
What is the InChIKey of 5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde?
The InChIKey is SUTBQEGSCWNORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-10-6-7-14-15(8-10)20-16-11-4-2-3-5-12(11)18(22)13(9-21)17(16)19-14/h2-9,22H,1H3.
What are the key properties of 5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde?
5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde has a molecular weight of 288.31 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde is sourced from PubChem (CID 137224351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).