3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide

C21H20N4O3 — CID 6622618

IUPAC3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2n[nH]c3nc4cc(OC)ccc4cc23)cc1
InChIInChI=1S/C21H20N4O3/c1-27-15-7-3-13(4-8-15)5-10-19(26)23-21-17-11-14-6-9-16(28-2)12-18(14)22-20(17)24-25-21/h3-4,6-9,11-12H,5,10H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyJUDKTBYHBGGILW-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.70
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide

3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide (PubChem CID 6622618) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide
PubChem CID6622618
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2n[nH]c3nc4cc(OC)ccc4cc23)cc1
InChIInChI=1S/C21H20N4O3/c1-27-15-7-3-13(4-8-15)5-10-19(26)23-21-17-11-14-6-9-16(28-2)12-18(14)22-20(17)24-25-21/h3-4,6-9,11-12H,5,10H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyJUDKTBYHBGGILW-UHFFFAOYSA-N
XLogP3.70
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide (CID 6622618) is 3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide is COc1ccc(CCC(=O)Nc2n[nH]c3nc4cc(OC)ccc4cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide?
The InChIKey is JUDKTBYHBGGILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-15-7-3-13(4-8-15)5-10-19(26)23-21-17-11-14-6-9-16(28-2)12-18(14)22-20(17)24-25-21/h3-4,6-9,11-12H,5,10H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide?
3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide has a molecular weight of 376.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)propanamide is sourced from PubChem (CID 6622618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).