3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one

C27H24N2O3 — CID 22443419

IUPAC3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)ccc21
InChIInChI=1S/C27H24N2O3/c1-27(2)23-14-13-22(15-25(23)29-26(27)30)31-16-18-7-11-21(12-8-18)32-17-20-10-9-19-5-3-4-6-24(19)28-20/h3-15H,16-17H2,1-2H3,(H,29,30)
InChIKeyWEMGCZWJKJNPLO-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.62
Rot. Bonds6

About 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one

3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one (PubChem CID 22443419) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one
PubChem CID22443419
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)ccc21
InChIInChI=1S/C27H24N2O3/c1-27(2)23-14-13-22(15-25(23)29-26(27)30)31-16-18-7-11-21(12-8-18)32-17-20-10-9-19-5-3-4-6-24(19)28-20/h3-15H,16-17H2,1-2H3,(H,29,30)
InChIKeyWEMGCZWJKJNPLO-UHFFFAOYSA-N
XLogP5.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one with MolForge

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Related Compounds

2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
4-hexyl-3,3-dimethyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one
CID 22443365
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
7-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 19369485
2-[[4-[[4-(1H-1,2,4-triazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 21014285
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one
CID 59117219
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
2-[[4-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]phenoxy]methyl]quinoline
CID 142083930

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one (CID 22443419) is 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one is CC1(C)C(=O)Nc2cc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)ccc21.
What is the InChIKey of 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one?
The InChIKey is WEMGCZWJKJNPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-27(2)23-14-13-22(15-25(23)29-26(27)30)31-16-18-7-11-21(12-8-18)32-17-20-10-9-19-5-3-4-6-24(19)28-20/h3-15H,16-17H2,1-2H3,(H,29,30).
What are the key properties of 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one?
3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one has a molecular weight of 424.50 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1H-indol-2-one is sourced from PubChem (CID 22443419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).