2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol

C24H26N4O2 — CID 155151677

IUPAC2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol
SMILESOCCN(CCO)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1
InChIInChI=1S/C24H26N4O2/c29-13-11-28(12-14-30)17-7-5-16(6-8-17)24-19-4-2-1-3-18(19)23-20-15-25-27-21(20)9-10-22(23)26-24/h5-10,15,29-30H,1-4,11-14H2,(H,25,27)
InChIKeyNCKYEJGIOAJCEB-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.45
Rot. Bonds6

About 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol

2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol (PubChem CID 155151677) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol
PubChem CID155151677
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol
SMILESOCCN(CCO)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1
InChIInChI=1S/C24H26N4O2/c29-13-11-28(12-14-30)17-7-5-16(6-8-17)24-19-4-2-1-3-18(19)23-20-15-25-27-21(20)9-10-22(23)26-24/h5-10,15,29-30H,1-4,11-14H2,(H,25,27)
InChIKeyNCKYEJGIOAJCEB-UHFFFAOYSA-N
XLogP3.45
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol (CID 155151677) is 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol is OCCN(CCO)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol?
The InChIKey is NCKYEJGIOAJCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-13-11-28(12-14-30)17-7-5-16(6-8-17)24-19-4-2-1-3-18(19)23-20-15-25-27-21(20)9-10-22(23)26-24/h5-10,15,29-30H,1-4,11-14H2,(H,25,27).
What are the key properties of 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol has a molecular weight of 402.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol is sourced from PubChem (CID 155151677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).