7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one

C25H18N2O2 — CID 135559411

IUPAC7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)/C2=N\c1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C25H18N2O2/c1-16-6-4-10-21-23(16)27-25(28)24(21)26-18-12-14-19(15-13-18)29-22-11-5-8-17-7-2-3-9-20(17)22/h2-15H,1H3,(H,26,27,28)
InChIKeyYDEXVGQWDMGGHA-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.01
Rot. Bonds3

About 7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one

7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one (PubChem CID 135559411) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one
PubChem CID135559411
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)/C2=N\c1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C25H18N2O2/c1-16-6-4-10-21-23(16)27-25(28)24(21)26-18-12-14-19(15-13-18)29-22-11-5-8-17-7-2-3-9-20(17)22/h2-15H,1H3,(H,26,27,28)
InChIKeyYDEXVGQWDMGGHA-UHFFFAOYSA-N
XLogP6.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one
CID 135559686
7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one
CID 135559403
3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135449508
7-methyl-3-(2-methylphenyl)imino-1H-indol-2-one
CID 135559433
6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559640
7-methyl-3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
CID 135559461
5-bromo-3-[4-(4-tert-butylphenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559714
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
3-(4-bromo-2-methylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559452
4-naphthalen-1-yloxybenzaldehyde
CID 19069208
5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one
CID 135559269
4-naphthalen-1-yloxybenzoyl fluoride
CID 54185707

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one?
The IUPAC name of 7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one (CID 135559411) is 7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one?
The canonical SMILES for 7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one is Cc1cccc2c1NC(=O)/C2=N\c1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of 7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one?
The InChIKey is YDEXVGQWDMGGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-16-6-4-10-21-23(16)27-25(28)24(21)26-18-12-14-19(15-13-18)29-22-11-5-8-17-7-2-3-9-20(17)22/h2-15H,1H3,(H,26,27,28).
What are the key properties of 7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one?
7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one has a molecular weight of 378.43 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135559411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).