2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone

C28H30N4O2 — CID 148814042

IUPAC2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCN(C)CC5)cc4)cc3c2)n1C
InChIInChI=1S/C28H30N4O2/c1-19-29-18-27(32(19)3)21-4-5-22-17-30-24(15-23(22)14-21)16-28(33)20-6-8-25(9-7-20)34-26-10-12-31(2)13-11-26/h4-9,14-15,17-18,26H,10-13,16H2,1-3H3
InChIKeyOQLZCSYWCXVKJH-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.84
Rot. Bonds6

About 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone

2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone (PubChem CID 148814042) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
PubChem CID148814042
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCN(C)CC5)cc4)cc3c2)n1C
InChIInChI=1S/C28H30N4O2/c1-19-29-18-27(32(19)3)21-4-5-22-17-30-24(15-23(22)14-21)16-28(33)20-6-8-25(9-7-20)34-26-10-12-31(2)13-11-26/h4-9,14-15,17-18,26H,10-13,16H2,1-3H3
InChIKeyOQLZCSYWCXVKJH-UHFFFAOYSA-N
XLogP4.84
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone with MolForge

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Related Compounds

Azd8542
CID 53344810
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
CID 3728297
N-imidazo[1,2-a]pyridin-6-yl-N-methyl-4-(quinolin-2-ylmethoxy)benzamide
CID 56596176
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-morpholinopyrazin-2-yloxy)phenyl)methanone
CID 59351424
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yloxy)phenyl)methanone
CID 59326816
[4-[[3-(4-Fluorooxan-4-yl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
CID 59326827
(4-(3-(3,6-dihydro-2H-pyran-4-yl)pyridin-2-yloxy)phenyl)(1-methyl-1H-benzo[d]imidazol-2-yl)methanone
CID 59326995
(5-Fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327061
1-[4-(2-Pyridin-3-ylquinazolin-4-yl)oxyphenyl]ethanone
CID 2549706

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone?
The IUPAC name of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone (CID 148814042) is 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone.
What is the SMILES notation for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone?
The canonical SMILES for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)c4ccc(OC5CCN(C)CC5)cc4)cc3c2)n1C.
What is the InChIKey of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone?
The InChIKey is OQLZCSYWCXVKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-19-29-18-27(32(19)3)21-4-5-22-17-30-24(15-23(22)14-21)16-28(33)20-6-8-25(9-7-20)34-26-10-12-31(2)13-11-26/h4-9,14-15,17-18,26H,10-13,16H2,1-3H3.
What are the key properties of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone?
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone has a molecular weight of 454.57 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 148814042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).