11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine

C22H18N4 — CID 14121429

IUPAC11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine
SMILESCc1cc2nc3c4cc(N)ccc4c4ccc(N)cc4c3nc2cc1C
InChIInChI=1S/C22H18N4/c1-11-7-19-20(8-12(11)2)26-22-18-10-14(24)4-6-16(18)15-5-3-13(23)9-17(15)21(22)25-19/h3-10H,23-24H2,1-2H3
InChIKeyKBCIEKLNTRLLEG-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.87
Rot. Bonds

About 11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine

11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine (PubChem CID 14121429) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine.

Molecular Properties

Compound Name11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine
PubChem CID14121429
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine
SMILESCc1cc2nc3c4cc(N)ccc4c4ccc(N)cc4c3nc2cc1C
InChIInChI=1S/C22H18N4/c1-11-7-19-20(8-12(11)2)26-22-18-10-14(24)4-6-16(18)15-5-3-13(23)9-17(15)21(22)25-19/h3-10H,23-24H2,1-2H3
InChIKeyKBCIEKLNTRLLEG-UHFFFAOYSA-N
XLogP4.87
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

6-N,6-N-dimethylphenanthridine-3,6,8-triamine
CID 23314008
2,7-dibromo-11,12-dimethoxyphenanthro[9,10-b]quinoxaline
CID 101448354
1,4-dimethylnaphthalene-2,6-diamine
CID 139601162
4-chloro-2-methylquinazolin-6-amine
CID 124908084
1,3-dimethylphenazin-2-amine
CID 23333976
1,3-dimethylisoquinolin-7-amine
CID 174772287
2,7,11-tribromophenanthro[9,10-b]quinoxaline
CID 162716062
2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine
CID 162720673
9,10-dimethylphenanthridin-3-amine
CID 160985483
4-(7-iodophenanthro[9,10-b]quinoxalin-11-yl)oxyaniline
CID 3106827
4-methylquinazolin-7-amine
CID 90920738
1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride
CID 70555479

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine?
The IUPAC name of 11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine (CID 14121429) is 11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine.
What is the SMILES notation for 11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine?
The canonical SMILES for 11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine is Cc1cc2nc3c4cc(N)ccc4c4ccc(N)cc4c3nc2cc1C.
What is the InChIKey of 11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine?
The InChIKey is KBCIEKLNTRLLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-11-7-19-20(8-12(11)2)26-22-18-10-14(24)4-6-16(18)15-5-3-13(23)9-17(15)21(22)25-19/h3-10H,23-24H2,1-2H3.
What are the key properties of 11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine?
11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine has a molecular weight of 338.41 g/mol, XLogP of 4.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine is sourced from PubChem (CID 14121429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).