5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline

C22H20N2 — CID 19362341

IUPAC5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline
SMILESCC1CC=CC2=c3nc4c(nc3C3C=CC=CC3=C21)=CC=CC4C
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/h3-6,8-14,16H,7H2,1-2H3
InChIKeyDKRWYLPREQTQIH-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.20
Rot. Bonds

About 5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline

5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline (PubChem CID 19362341) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline.

Molecular Properties

Compound Name5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline
PubChem CID19362341
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline
SMILESCC1CC=CC2=c3nc4c(nc3C3C=CC=CC3=C21)=CC=CC4C
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/h3-6,8-14,16H,7H2,1-2H3
InChIKeyDKRWYLPREQTQIH-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline?
The IUPAC name of 5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline (CID 19362341) is 5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline.
What is the SMILES notation for 5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline?
The canonical SMILES for 5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline is CC1CC=CC2=c3nc4c(nc3C3C=CC=CC3=C21)=CC=CC4C.
What is the InChIKey of 5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline?
The InChIKey is DKRWYLPREQTQIH-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/h3-6,8-14,16H,7H2,1-2H3.
What are the key properties of 5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline?
5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline has a molecular weight of 312.42 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 19362341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).