5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline

C22H20N2 — CID 87773372

IUPAC5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline
SMILESCC1C=CC=C2NC3=c4ccccc4=C4C(=CC=CC4C)C3N=C21
InChIInChI=1S/C22H20N2/c1-13-7-5-11-17-19(13)15-9-3-4-10-16(15)21-22(17)24-20-14(2)8-6-12-18(20)23-21/h3-14,22-23H,1-2H3
InChIKeyQYIPHILKWSVEOQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.59
Rot. Bonds

About 5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline

5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline (PubChem CID 87773372) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline.

Molecular Properties

Compound Name5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline
PubChem CID87773372
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline
SMILESCC1C=CC=C2NC3=c4ccccc4=C4C(=CC=CC4C)C3N=C21
InChIInChI=1S/C22H20N2/c1-13-7-5-11-17-19(13)15-9-3-4-10-16(15)21-22(17)24-20-14(2)8-6-12-18(20)23-21/h3-14,22-23H,1-2H3
InChIKeyQYIPHILKWSVEOQ-UHFFFAOYSA-N
XLogP2.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline?
The IUPAC name of 5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline (CID 87773372) is 5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline.
What is the SMILES notation for 5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline?
The canonical SMILES for 5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline is CC1C=CC=C2NC3=c4ccccc4=C4C(=CC=CC4C)C3N=C21.
What is the InChIKey of 5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline?
The InChIKey is QYIPHILKWSVEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-13-7-5-11-17-19(13)15-9-3-4-10-16(15)21-22(17)24-20-14(2)8-6-12-18(20)23-21/h3-14,22-23H,1-2H3.
What are the key properties of 5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline?
5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline has a molecular weight of 312.42 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-5,8b,10,14-tetrahydrophenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 87773372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).