3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine

C22H19N5 — CID 145495657

IUPAC3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine
SMILESCCn1c2ccccc2c2cc(Nc3nc4ccccc4nc3N)ccc21
InChIInChI=1S/C22H19N5/c1-2-27-19-10-6-3-7-15(19)16-13-14(11-12-20(16)27)24-22-21(23)25-17-8-4-5-9-18(17)26-22/h3-13H,2H2,1H3,(H2,23,25)(H,24,26)
InChIKeyOUMSTSGICHTODF-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.08
Rot. Bonds3

About 3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine

3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine (PubChem CID 145495657) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine
PubChem CID145495657
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine
SMILESCCn1c2ccccc2c2cc(Nc3nc4ccccc4nc3N)ccc21
InChIInChI=1S/C22H19N5/c1-2-27-19-10-6-3-7-15(19)16-13-14(11-12-20(16)27)24-22-21(23)25-17-8-4-5-9-18(17)26-22/h3-13H,2H2,1H3,(H2,23,25)(H,24,26)
InChIKeyOUMSTSGICHTODF-UHFFFAOYSA-N
XLogP5.08
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide
CID 2377808
3-N-(4-methylphenyl)quinoxaline-2,3-diamine
CID 102985247
9-ethylcarbazol-3-amine;naphthalen-1-amine
CID 66872678
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
2,5-dichloro-3-[(9-ethylcarbazol-2-yl)amino]-6-[(9-ethylcarbazol-3-yl)amino]cyclohexa-2,5-diene-1,4-dione
CID 11157644
3-N-(3-iodophenyl)quinoxaline-2,3-diamine
CID 102985385
9-ethylcarbazole;naphthalene-1,3-diamine
CID 175329016
anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine
CID 159856666
3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
CID 102983660
4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide
CID 2481644
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708

Frequently Asked Questions

What is the IUPAC name of 3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine (CID 145495657) is 3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine is CCn1c2ccccc2c2cc(Nc3nc4ccccc4nc3N)ccc21.
What is the InChIKey of 3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine?
The InChIKey is OUMSTSGICHTODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-27-19-10-6-3-7-15(19)16-13-14(11-12-20(16)27)24-22-21(23)25-17-8-4-5-9-18(17)26-22/h3-13H,2H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of 3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine?
3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine has a molecular weight of 353.43 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine is sourced from PubChem (CID 145495657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).