2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one

C19H19N3O2 — CID 170178566

IUPAC2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
SMILESCCOc1ccc2c(n1)C1(CCc3ccccc31)C(=O)N/C2=N\C
InChIInChI=1S/C19H19N3O2/c1-3-24-15-9-8-13-16(21-15)19(18(23)22-17(13)20-2)11-10-12-6-4-5-7-14(12)19/h4-9H,3,10-11H2,1-2H3,(H,20,22,23)
InChIKeyIQWSWOPNHWDPHH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.22
Rot. Bonds2

About 2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one

2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one (PubChem CID 170178566) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one.

Molecular Properties

Compound Name2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
PubChem CID170178566
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
SMILESCCOc1ccc2c(n1)C1(CCc3ccccc31)C(=O)N/C2=N\C
InChIInChI=1S/C19H19N3O2/c1-3-24-15-9-8-13-16(21-15)19(18(23)22-17(13)20-2)11-10-12-6-4-5-7-14(12)19/h4-9H,3,10-11H2,1-2H3,(H,20,22,23)
InChIKeyIQWSWOPNHWDPHH-UHFFFAOYSA-N
XLogP2.22
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178209
(3S)-5'-(cyclopropylmethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178205
2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione
CID 170178455
5'-sulfanylidene-2'-(2,2,2-trifluoroethylamino)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-7'-one
CID 170178525
(1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile
CID 170178687
2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
CID 157377001
(3aS,9bS)-9b-(4-ethoxyanilino)-4,5-dihydro-3aH-benzo[g][1]benzothiol-3-one
CID 6925633
ethane;1-ethyl-2,3-dihydroinden-1-ol
CID 90872603
6'-bromo-8'-fluoro-1'-methyliminospiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-3'-one
CID 170178594
(NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine
CID 136951960
ethyl (1R,4aR,10aS)-1,4a-dimethyl-2-oxo-4,9,10,10a-tetrahydro-3H-phenanthrene-1-carboxylate
CID 15361598
2'-(4-ethoxyiminobutyl)spiro[1,2-dihydroindene-3,5'-cyclohexane]-1',3'-dione
CID 88679352

Frequently Asked Questions

What is the IUPAC name of 2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The IUPAC name of 2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one (CID 170178566) is 2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one.
What is the SMILES notation for 2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The canonical SMILES for 2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one is CCOc1ccc2c(n1)C1(CCc3ccccc31)C(=O)N/C2=N\C.
What is the InChIKey of 2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The InChIKey is IQWSWOPNHWDPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-24-15-9-8-13-16(21-15)19(18(23)22-17(13)20-2)11-10-12-6-4-5-7-14(12)19/h4-9H,3,10-11H2,1-2H3,(H,20,22,23).
What are the key properties of 2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one has a molecular weight of 321.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one is sourced from PubChem (CID 170178566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).