3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one

C23H20N4O4 — CID 127031935

IUPAC3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(OCCn3c(=O)oc4cc(-c5cnn(C)c5)ccc43)ccnc2c1
InChIInChI=1S/C23H20N4O4/c1-26-14-16(13-25-26)15-3-6-20-22(11-15)31-23(28)27(20)9-10-30-21-7-8-24-19-12-17(29-2)4-5-18(19)21/h3-8,11-14H,9-10H2,1-2H3
InChIKeyGDIMPHBFNDIVFX-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.63
Rot. Bonds6

About 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one

3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one (PubChem CID 127031935) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one
PubChem CID127031935
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one
SMILESCOc1ccc2c(OCCn3c(=O)oc4cc(-c5cnn(C)c5)ccc43)ccnc2c1
InChIInChI=1S/C23H20N4O4/c1-26-14-16(13-25-26)15-3-6-20-22(11-15)31-23(28)27(20)9-10-30-21-7-8-24-19-12-17(29-2)4-5-18(19)21/h3-8,11-14H,9-10H2,1-2H3
InChIKeyGDIMPHBFNDIVFX-UHFFFAOYSA-N
XLogP3.63
TPSA84.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one with MolForge

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Related Compounds

1-(4-Methyl-piperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-yloxy]-ethanone
CID 10276818
Dihydropyrrolopyrazole, 15b
CID 21992730
Dihydropyrrolopyrazole, 15a
CID 21992811
4-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668362
6-(1-Methylpyrazol-4-yl)-3-[2-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyethyl]-1,3-benzoxazol-2-one
CID 127034553
6-(1-Methylpyrazol-4-yl)-2-[2-[7-(6-oxoheptoxy)quinolin-4-yl]oxyethyl]pyridazin-3-one
CID 145968221
8-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11517420
1-[4-[2-[4-(1-Phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone
CID 70683518
[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate
CID 70683529
7-(3-Methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline
CID 70687765
[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate
CID 70689822
7-Ethoxy-4-(1-phenylpyrazol-4-yl)quinoline
CID 70691951

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one (CID 127031935) is 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one is COc1ccc2c(OCCn3c(=O)oc4cc(-c5cnn(C)c5)ccc43)ccnc2c1.
What is the InChIKey of 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one?
The InChIKey is GDIMPHBFNDIVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-26-14-16(13-25-26)15-3-6-20-22(11-15)31-23(28)27(20)9-10-30-21-7-8-24-19-12-17(29-2)4-5-18(19)21/h3-8,11-14H,9-10H2,1-2H3.
What are the key properties of 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one?
3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one has a molecular weight of 416.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(1-methylpyrazol-4-yl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 127031935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).