6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione

C19H16N2O2 — CID 170178410

IUPAC6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione
SMILESO=C1NC(=O)C2(CCc3ncccc32)c2cc(C3CC3)ccc21
InChIInChI=1S/C19H16N2O2/c22-17-13-6-5-12(11-3-4-11)10-15(13)19(18(23)21-17)8-7-16-14(19)2-1-9-20-16/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,22,23)
InChIKeyVDOLBMCTCRNDFF-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.46
Rot. Bonds1

About 6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione

6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione (PubChem CID 170178410) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione.

Molecular Properties

Compound Name6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione
PubChem CID170178410
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione
SMILESO=C1NC(=O)C2(CCc3ncccc32)c2cc(C3CC3)ccc21
InChIInChI=1S/C19H16N2O2/c22-17-13-6-5-12(11-3-4-11)10-15(13)19(18(23)21-17)8-7-16-14(19)2-1-9-20-16/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,22,23)
InChIKeyVDOLBMCTCRNDFF-UHFFFAOYSA-N
XLogP2.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6'-(1,1-difluoroethyl)spiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione
CID 170178424
6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione
CID 170178428
6'-(1,1-difluoroethyl)-1'-(2,2,2-trifluoroethylimino)spiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-3'-one
CID 170178183
(5S)-6'-(trifluoromethyl)-1'-[(2S)-1,1,1-trifluoropropan-2-yl]iminospiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-3'-one
CID 170178733
5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,5'-6,7-dihydrocyclopenta[b]pyridine]-7-one
CID 170178075
(5S)-1'-amino-6'-(trifluoromethyl)spiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-3'-one
CID 170178334
6'-bromo-8'-fluoro-1'-methyliminospiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-3'-one
CID 170178594
9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione
CID 155690252
spiro[indeno[1,2-b]pyridine-5,3'-pyrrolidine]-2',5'-dione
CID 14075046
5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
CID 83906286
8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
CID 82159815
5,5,6-trimethyl-7,8-dihydro-6H-quinoline
CID 143150763

Frequently Asked Questions

What is the IUPAC name of 6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione?
The IUPAC name of 6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione (CID 170178410) is 6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione.
What is the SMILES notation for 6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione?
The canonical SMILES for 6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione is O=C1NC(=O)C2(CCc3ncccc32)c2cc(C3CC3)ccc21.
What is the InChIKey of 6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione?
The InChIKey is VDOLBMCTCRNDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-17-13-6-5-12(11-3-4-11)10-15(13)19(18(23)21-17)8-7-16-14(19)2-1-9-20-16/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,22,23).
What are the key properties of 6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione?
6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione has a molecular weight of 304.35 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione is sourced from PubChem (CID 170178410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).