4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile

C22H20N4O2 — CID 59393310

IUPAC4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(C#N)nc(OC)c3)cc2[nH]c1=O
InChIInChI=1S/C22H20N4O2/c1-4-15-9-16-5-6-17(10-19(16)26-21(15)27)22(2,13-24)11-14-7-18(12-23)25-20(8-14)28-3/h5-10H,4,11H2,1-3H3,(H,26,27)
InChIKeyHIMQGYVXYTVJFP-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.39
Rot. Bonds5

About 4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile

4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile (PubChem CID 59393310) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile
PubChem CID59393310
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(C#N)nc(OC)c3)cc2[nH]c1=O
InChIInChI=1S/C22H20N4O2/c1-4-15-9-16-5-6-17(10-19(16)26-21(15)27)22(2,13-24)11-14-7-18(12-23)25-20(8-14)28-3/h5-10H,4,11H2,1-3H3,(H,26,27)
InChIKeyHIMQGYVXYTVJFP-UHFFFAOYSA-N
XLogP3.39
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile?
The IUPAC name of 4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile (CID 59393310) is 4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile?
The canonical SMILES for 4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile is CCc1cc2ccc(C(C)(C#N)Cc3cc(C#N)nc(OC)c3)cc2[nH]c1=O.
What is the InChIKey of 4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile?
The InChIKey is HIMQGYVXYTVJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-4-15-9-16-5-6-17(10-19(16)26-21(15)27)22(2,13-24)11-14-7-18(12-23)25-20(8-14)28-3/h5-10H,4,11H2,1-3H3,(H,26,27).
What are the key properties of 4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile?
4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 59393310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).