N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide

C18H22N4O — CID 1624843

IUPACN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide
SMILESCCCCC(=O)NC1=NN(C2=NC3=C(C=CC=C3C=C12)C)CC
InChIInChI=1S/C18H22N4O/c1-4-6-10-15(23)19-17-14-11-13-9-7-8-12(3)16(13)20-18(14)22(5-2)21-17/h7-9,11H,4-6,10H2,1-3H3,(H,19,21,23)
InChIKeyKRPOSOCRMCLWBS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.50
Rot. Bonds5

About N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide

N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide (PubChem CID 1624843) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide.

Molecular Properties

Compound NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide
PubChem CID1624843
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide
SMILESCCCCC(=O)NC1=NN(C2=NC3=C(C=CC=C3C=C12)C)CC
InChIInChI=1S/C18H22N4O/c1-4-6-10-15(23)19-17-14-11-13-9-7-8-12(3)16(13)20-18(14)22(5-2)21-17/h7-9,11H,4-6,10H2,1-3H3,(H,19,21,23)
InChIKeyKRPOSOCRMCLWBS-UHFFFAOYSA-N
XLogP3.50
TPSA59.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity416

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide?
The IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide (CID 1624843) is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide.
What is the SMILES notation for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide?
The canonical SMILES for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide is CCCCC(=O)NC1=NN(C2=NC3=C(C=CC=C3C=C12)C)CC.
What is the InChIKey of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide?
The InChIKey is KRPOSOCRMCLWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-6-10-15(23)19-17-14-11-13-9-7-8-12(3)16(13)20-18(14)22(5-2)21-17/h7-9,11H,4-6,10H2,1-3H3,(H,19,21,23).
What are the key properties of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide?
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide has a molecular weight of 310.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide is sourced from PubChem (CID 1624843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).