3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol

C23H24ClN3O3 — CID 143666361

IUPAC3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol
SMILESCCN(CCO)CCOc1ccc(-c2cccc(O)c2)c2c1[nH]c1ncc(Cl)cc12
InChIInChI=1S/C23H24ClN3O3/c1-2-27(8-10-28)9-11-30-20-7-6-18(15-4-3-5-17(29)12-15)21-19-13-16(24)14-25-23(19)26-22(20)21/h3-7,12-14,28-29H,2,8-11H2,1H3,(H,25,26)
InChIKeyWATQTWPTEWVXLX-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.44
Rot. Bonds8

About 3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol

3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol (PubChem CID 143666361) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol
PubChem CID143666361
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol
SMILESCCN(CCO)CCOc1ccc(-c2cccc(O)c2)c2c1[nH]c1ncc(Cl)cc12
InChIInChI=1S/C23H24ClN3O3/c1-2-27(8-10-28)9-11-30-20-7-6-18(15-4-3-5-17(29)12-15)21-19-13-16(24)14-25-23(19)26-22(20)21/h3-7,12-14,28-29H,2,8-11H2,1H3,(H,25,26)
InChIKeyWATQTWPTEWVXLX-UHFFFAOYSA-N
XLogP4.44
TPSA81.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol?
The IUPAC name of 3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol (CID 143666361) is 3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol.
What is the SMILES notation for 3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol?
The canonical SMILES for 3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol is CCN(CCO)CCOc1ccc(-c2cccc(O)c2)c2c1[nH]c1ncc(Cl)cc12.
What is the InChIKey of 3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol?
The InChIKey is WATQTWPTEWVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-2-27(8-10-28)9-11-30-20-7-6-18(15-4-3-5-17(29)12-15)21-19-13-16(24)14-25-23(19)26-22(20)21/h3-7,12-14,28-29H,2,8-11H2,1H3,(H,25,26).
What are the key properties of 3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol?
3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol has a molecular weight of 425.92 g/mol, XLogP of 4.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-8-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]-9H-pyrido[2,3-b]indol-5-yl]phenol is sourced from PubChem (CID 143666361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).