1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone

C21H17N5O2 — CID 6619798

IUPAC1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESCOc1ccc2cc3c(N)nn(C(=O)Cc4c[nH]c5ccccc45)c3nc2c1
InChIInChI=1S/C21H17N5O2/c1-28-14-7-6-12-8-16-20(22)25-26(21(16)24-18(12)10-14)19(27)9-13-11-23-17-5-3-2-4-15(13)17/h2-8,10-11,23H,9H2,1H3,(H2,22,25)
InChIKeyRULKJOIVCPGCMR-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.54
Rot. Bonds3

About 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone

1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 6619798) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID6619798
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESCOc1ccc2cc3c(N)nn(C(=O)Cc4c[nH]c5ccccc45)c3nc2c1
InChIInChI=1S/C21H17N5O2/c1-28-14-7-6-12-8-16-20(22)25-26(21(16)24-18(12)10-14)19(27)9-13-11-23-17-5-3-2-4-15(13)17/h2-8,10-11,23H,9H2,1H3,(H2,22,25)
InChIKeyRULKJOIVCPGCMR-UHFFFAOYSA-N
XLogP3.54
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone (CID 6619798) is 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone is COc1ccc2cc3c(N)nn(C(=O)Cc4c[nH]c5ccccc45)c3nc2c1.
What is the InChIKey of 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is RULKJOIVCPGCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-28-14-7-6-12-8-16-20(22)25-26(21(16)24-18(12)10-14)19(27)9-13-11-23-17-5-3-2-4-15(13)17/h2-8,10-11,23H,9H2,1H3,(H2,22,25).
What are the key properties of 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone?
1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 371.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 6619798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).