7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one

C17H20N4O2 — CID 56710027

IUPAC7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN(C)CCc3cn[nH]c3)c(=O)[nH]c2c1
InChIInChI=1S/C17H20N4O2/c1-21(6-5-12-9-18-19-10-12)11-14-7-13-3-4-15(23-2)8-16(13)20-17(14)22/h3-4,7-10H,5-6,11H2,1-2H3,(H,18,19)(H,20,22)
InChIKeySNENRRRHKZDGIB-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.93
Rot. Bonds6

About 7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one

7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 56710027) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one
PubChem CID56710027
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN(C)CCc3cn[nH]c3)c(=O)[nH]c2c1
InChIInChI=1S/C17H20N4O2/c1-21(6-5-12-9-18-19-10-12)11-14-7-13-3-4-15(23-2)8-16(13)20-17(14)22/h3-4,7-10H,5-6,11H2,1-2H3,(H,18,19)(H,20,22)
InChIKeySNENRRRHKZDGIB-UHFFFAOYSA-N
XLogP1.93
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one (CID 56710027) is 7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one is COc1ccc2cc(CN(C)CCc3cn[nH]c3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is SNENRRRHKZDGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21(6-5-12-9-18-19-10-12)11-14-7-13-3-4-15(23-2)8-16(13)20-17(14)22/h3-4,7-10H,5-6,11H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of 7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one?
7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 312.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56710027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).