4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile

C32H25N3O3 — CID 44601364

IUPAC4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile
SMILESCOc1cc(-c2c(C3CC3)cccc2-n2ccc(OCc3ccc4ccccc4n3)cc2=O)ccc1C#N
InChIInChI=1S/C32H25N3O3/c1-37-30-17-23(11-12-24(30)19-33)32-27(21-9-10-21)6-4-8-29(32)35-16-15-26(18-31(35)36)38-20-25-14-13-22-5-2-3-7-28(22)34-25/h2-8,11-18,21H,9-10,20H2,1H3
InChIKeyJNLKGGAOAQARFG-UHFFFAOYSA-N
MW499.57 g/mol
LogP6.39
Rot. Bonds7

About 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile

4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile (PubChem CID 44601364) has the molecular formula C32H25N3O3 and a molecular weight of 499.57 g/mol. Its IUPAC name is 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile
PubChem CID44601364
Molecular FormulaC32H25N3O3
Molecular Weight499.57 g/mol
Exact Mass499.19
IUPAC Name4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile
SMILESCOc1cc(-c2c(C3CC3)cccc2-n2ccc(OCc3ccc4ccccc4n3)cc2=O)ccc1C#N
InChIInChI=1S/C32H25N3O3/c1-37-30-17-23(11-12-24(30)19-33)32-27(21-9-10-21)6-4-8-29(32)35-16-15-26(18-31(35)36)38-20-25-14-13-22-5-2-3-7-28(22)34-25/h2-8,11-18,21H,9-10,20H2,1H3
InChIKeyJNLKGGAOAQARFG-UHFFFAOYSA-N
XLogP6.39
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(oxan-2-yloxy)-3-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 67026365
3-[2-oxo-4-(quinolin-2-yloxymethyl)-1-pyridinyl]-2-pyridin-4-ylbenzonitrile
CID 44600880
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 44600240
2-phenyl-3-pyridin-4-yl-5-(quinolin-2-ylmethoxy)benzonitrile
CID 67026359
4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile
CID 14774171
1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
CID 21014235
2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995097
2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 59117233
carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline
CID 158514521
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile (CID 44601364) is 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile is COc1cc(-c2c(C3CC3)cccc2-n2ccc(OCc3ccc4ccccc4n3)cc2=O)ccc1C#N.
What is the InChIKey of 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile?
The InChIKey is JNLKGGAOAQARFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O3/c1-37-30-17-23(11-12-24(30)19-33)32-27(21-9-10-21)6-4-8-29(32)35-16-15-26(18-31(35)36)38-20-25-14-13-22-5-2-3-7-28(22)34-25/h2-8,11-18,21H,9-10,20H2,1H3.
What are the key properties of 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile?
4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile has a molecular weight of 499.57 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-6-[2-oxo-4-(quinolin-2-ylmethoxy)-1-pyridinyl]phenyl]-2-methoxybenzonitrile is sourced from PubChem (CID 44601364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).