[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

C21H21N3O — CID 67224096

IUPAC[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESO=C(c1ccc2nccn2c1)N1CCC[C@H]2c3ccccc3CC[C@H]21
InChIInChI=1S/C21H21N3O/c25-21(16-8-10-20-22-11-13-23(20)14-16)24-12-3-6-18-17-5-2-1-4-15(17)7-9-19(18)24/h1-2,4-5,8,10-11,13-14,18-19H,3,6-7,9,12H2/t18-,19+/m0/s1
InChIKeyDBVFOMYYIPYKCN-RBUKOAKNSA-N
MW331.42 g/mol
LogP3.67
Rot. Bonds1

About [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (PubChem CID 67224096) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
PubChem CID67224096
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESO=C(c1ccc2nccn2c1)N1CCC[C@H]2c3ccccc3CC[C@H]21
InChIInChI=1S/C21H21N3O/c25-21(16-8-10-20-22-11-13-23(20)14-16)24-12-3-6-18-17-5-2-1-4-15(17)7-9-19(18)24/h1-2,4-5,8,10-11,13-14,18-19H,3,6-7,9,12H2/t18-,19+/m0/s1
InChIKeyDBVFOMYYIPYKCN-RBUKOAKNSA-N
XLogP3.67
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone with MolForge

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Related Compounds

2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl-(4-aminophenyl)methanone
CID 67224597
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(4-aminophenyl)methanone
CID 67224595
[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone
CID 67223182
imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone
CID 97220862
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 58294448
[(4aS,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-benzimidazol-5-yl)methanone
CID 52933602
[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3,5-dichloro-4-hydroxyphenyl)methanone
CID 86654134
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2H-benzotriazol-5-yl)methanone
CID 67969110
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(4-amino-3-chlorophenyl)methanone
CID 58294602
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2-methyl-1H-inden-5-yl)methanone
CID 58294419
imidazo[1,2-a]pyridin-6-yl-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97149736
6-[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3H-1,3-benzothiazol-2-one
CID 67223288

Frequently Asked Questions

What is the IUPAC name of [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The IUPAC name of [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (CID 67224096) is [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.
What is the SMILES notation for [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The canonical SMILES for [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is O=C(c1ccc2nccn2c1)N1CCC[C@H]2c3ccccc3CC[C@H]21.
What is the InChIKey of [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The InChIKey is DBVFOMYYIPYKCN-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(16-8-10-20-22-11-13-23(20)14-16)24-12-3-6-18-17-5-2-1-4-15(17)7-9-19(18)24/h1-2,4-5,8,10-11,13-14,18-19H,3,6-7,9,12H2/t18-,19+/m0/s1.
What are the key properties of [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone has a molecular weight of 331.42 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is sourced from PubChem (CID 67224096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).