(4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one

C20H19N3O2 — CID 170178248

IUPAC(4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one
SMILESC/N=C1\NC(=O)[C@]2(CCOc3ccccc32)c2cc(C3CC3)ncc21
InChIInChI=1S/C20H19N3O2/c1-21-18-13-11-22-16(12-6-7-12)10-15(13)20(19(24)23-18)8-9-25-17-5-3-2-4-14(17)20/h2-5,10-12H,6-9H2,1H3,(H,21,23,24)/t20-/m0/s1
InChIKeyZQELKTWMPVQNRV-FQEVSTJZSA-N
MW333.39 g/mol
LogP2.53
Rot. Bonds1

About (4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one

(4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one (PubChem CID 170178248) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one.

Molecular Properties

Compound Name(4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one
PubChem CID170178248
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one
SMILESC/N=C1\NC(=O)[C@]2(CCOc3ccccc32)c2cc(C3CC3)ncc21
InChIInChI=1S/C20H19N3O2/c1-21-18-13-11-22-16(12-6-7-12)10-15(13)20(19(24)23-18)8-9-25-17-5-3-2-4-14(17)20/h2-5,10-12H,6-9H2,1H3,(H,21,23,24)/t20-/m0/s1
InChIKeyZQELKTWMPVQNRV-FQEVSTJZSA-N
XLogP2.53
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.53
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

6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione
CID 170178428
(4R,4'R)-4'-methylspiro[2,3-dihydrochromene-4,2'-cyclopentane]-1',3'-dione
CID 10513633
spiro[2,3-dihydrochromene-4,9'-fluorene]
CID 170928840
spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one
CID 123384679
2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178566
5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
CID 66106756
5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,5'-6,7-dihydrocyclopenta[b]pyridine]-7-one
CID 170178075
2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione
CID 170178448
4-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydrochromene-4-carboxylic acid
CID 65408707
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
4,4-diiodo-2,3-dihydrochromene
CID 138563808
spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one
CID 150627581

Frequently Asked Questions

What is the IUPAC name of (4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one?
The IUPAC name of (4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one (CID 170178248) is (4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one.
What is the SMILES notation for (4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one?
The canonical SMILES for (4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one is C/N=C1\NC(=O)[C@]2(CCOc3ccccc32)c2cc(C3CC3)ncc21.
What is the InChIKey of (4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one?
The InChIKey is ZQELKTWMPVQNRV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-21-18-13-11-22-16(12-6-7-12)10-15(13)20(19(24)23-18)8-9-25-17-5-3-2-4-14(17)20/h2-5,10-12H,6-9H2,1H3,(H,21,23,24)/t20-/m0/s1.
What are the key properties of (4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one?
(4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one has a molecular weight of 333.39 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6'-cyclopropyl-1'-methyliminospiro[2,3-dihydrochromene-4,4'-2,7-naphthyridine]-3'-one is sourced from PubChem (CID 170178248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).