3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one

C22H22ClN5O4 — CID 135448262

IUPAC3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3cc(OCCN4CCOCC4)ccc3c2nn1-c1cc(O)ccc1Cl
InChIInChI=1S/C22H22ClN5O4/c23-16-4-1-13(29)11-18(16)28-21(24)19-20(26-28)15-3-2-14(12-17(15)25-22(19)30)32-10-7-27-5-8-31-9-6-27/h1-4,11-12,29H,5-10,24H2,(H,25,30)
InChIKeyFSGGEXBJTHFCHP-UHFFFAOYSA-N
MW455.90 g/mol
LogP2.52
Rot. Bonds5

About 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135448262) has the molecular formula C22H22ClN5O4 and a molecular weight of 455.90 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135448262
Molecular FormulaC22H22ClN5O4
Molecular Weight455.90 g/mol
Exact Mass455.14
IUPAC Name3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESNc1c2c(=O)[nH]c3cc(OCCN4CCOCC4)ccc3c2nn1-c1cc(O)ccc1Cl
InChIInChI=1S/C22H22ClN5O4/c23-16-4-1-13(29)11-18(16)28-21(24)19-20(26-28)15-3-2-14(12-17(15)25-22(19)30)32-10-7-27-5-8-31-9-6-27/h1-4,11-12,29H,5-10,24H2,(H,25,30)
InChIKeyFSGGEXBJTHFCHP-UHFFFAOYSA-N
XLogP2.52
TPSA118.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.90
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599897
1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one
CID 155537258
3-amino-2-(2,5-dichlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600016
2-(4-chlorophenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604854
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propylamino]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599887
2-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)-5H-pyrazolo[4,3-c]quinolin-4-one;hydrochloride
CID 135599869
3,8-bis[2-(azetidin-1-yl)ethoxy]-5H-phenanthridin-6-one
CID 57439766
3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599898
N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline
CID 59587703
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135448262) is 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one is Nc1c2c(=O)[nH]c3cc(OCCN4CCOCC4)ccc3c2nn1-c1cc(O)ccc1Cl.
What is the InChIKey of 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is FSGGEXBJTHFCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O4/c23-16-4-1-13(29)11-18(16)28-21(24)19-20(26-28)15-3-2-14(12-17(15)25-22(19)30)32-10-7-27-5-8-31-9-6-27/h1-4,11-12,29H,5-10,24H2,(H,25,30).
What are the key properties of 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 455.90 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-5-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135448262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).