1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one

C27H29N3O2 — CID 122231206

IUPAC1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one
SMILESCCCCN1CCC2(C(=O)N(Cc3ccc(OC)cc3)c3ccccc32)c2cccnc21
InChIInChI=1S/C27H29N3O2/c1-3-4-17-29-18-15-27(23-9-7-16-28-25(23)29)22-8-5-6-10-24(22)30(26(27)31)19-20-11-13-21(32-2)14-12-20/h5-14,16H,3-4,15,17-19H2,1-2H3
InChIKeyFYBCIDPQQJVGFN-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.93
Rot. Bonds6

About 1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one

1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one (PubChem CID 122231206) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one.

Molecular Properties

Compound Name1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one
PubChem CID122231206
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one
SMILESCCCCN1CCC2(C(=O)N(Cc3ccc(OC)cc3)c3ccccc32)c2cccnc21
InChIInChI=1S/C27H29N3O2/c1-3-4-17-29-18-15-27(23-9-7-16-28-25(23)29)22-8-5-6-10-24(22)30(26(27)31)19-20-11-13-21(32-2)14-12-20/h5-14,16H,3-4,15,17-19H2,1-2H3
InChIKeyFYBCIDPQQJVGFN-UHFFFAOYSA-N
XLogP4.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one?
The IUPAC name of 1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one (CID 122231206) is 1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one.
What is the SMILES notation for 1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one?
The canonical SMILES for 1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one is CCCCN1CCC2(C(=O)N(Cc3ccc(OC)cc3)c3ccccc32)c2cccnc21.
What is the InChIKey of 1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one?
The InChIKey is FYBCIDPQQJVGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-3-4-17-29-18-15-27(23-9-7-16-28-25(23)29)22-8-5-6-10-24(22)30(26(27)31)19-20-11-13-21(32-2)14-12-20/h5-14,16H,3-4,15,17-19H2,1-2H3.
What are the key properties of 1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one?
1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one has a molecular weight of 427.55 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one is sourced from PubChem (CID 122231206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).