(3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one

C30H27NO3 — CID 126119197

IUPAC(3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one
SMILESCCCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)c2ccccc21
InChIInChI=1S/C30H27NO3/c1-3-17-31-27-14-7-6-13-25(27)26(30(31)32)18-21-15-16-28(29(19-21)33-2)34-20-23-11-8-10-22-9-4-5-12-24(22)23/h4-16,18-19H,3,17,20H2,1-2H3/b26-18-
InChIKeyMDCFXTMYPDPEQL-ITYLOYPMSA-N
MW449.55 g/mol
LogP6.72
Rot. Bonds7

About (3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one

(3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one (PubChem CID 126119197) has the molecular formula C30H27NO3 and a molecular weight of 449.55 g/mol. Its IUPAC name is (3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one
PubChem CID126119197
Molecular FormulaC30H27NO3
Molecular Weight449.55 g/mol
Exact Mass449.20
IUPAC Name(3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one
SMILESCCCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)c2ccccc21
InChIInChI=1S/C30H27NO3/c1-3-17-31-27-14-7-6-13-25(27)26(30(31)32)18-21-15-16-28(29(19-21)33-2)34-20-23-11-8-10-22-9-4-5-12-24(22)23/h4-16,18-19H,3,17,20H2,1-2H3/b26-18-
InChIKeyMDCFXTMYPDPEQL-ITYLOYPMSA-N
XLogP6.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-1-ethyl-3-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]indol-2-one
CID 126121868
(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-propylindol-2-one
CID 126124331
(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21377610
(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one
CID 126120705
(3Z)-3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-propylindol-2-one
CID 126126074
(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126229820
5-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3939731
(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 6066293
(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2274033
3-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]-1-methylindol-2-one
CID 5215498
3-[2-(4-bromophenyl)-2-oxoethyl]-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 4644045
(3Z)-3-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-1-propylindol-2-one
CID 126125832

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one?
The IUPAC name of (3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one (CID 126119197) is (3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one.
What is the SMILES notation for (3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one?
The canonical SMILES for (3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one is CCCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)c2ccccc21.
What is the InChIKey of (3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one?
The InChIKey is MDCFXTMYPDPEQL-ITYLOYPMSA-N. The full InChI is InChI=1S/C30H27NO3/c1-3-17-31-27-14-7-6-13-25(27)26(30(31)32)18-21-15-16-28(29(19-21)33-2)34-20-23-11-8-10-22-9-4-5-12-24(22)23/h4-16,18-19H,3,17,20H2,1-2H3/b26-18-.
What are the key properties of (3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one?
(3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one has a molecular weight of 449.55 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one is sourced from PubChem (CID 126119197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).