2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile

C22H23N3O2 — CID 70290208

IUPAC2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(C)nc(OC)c3)cc2[nH]c1=O
InChIInChI=1S/C22H23N3O2/c1-5-16-10-17-6-7-18(11-19(17)25-21(16)26)22(3,13-23)12-15-8-14(2)24-20(9-15)27-4/h6-11H,5,12H2,1-4H3,(H,25,26)
InChIKeySUVBAMHBDKEDCX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.83
Rot. Bonds5

About 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile (PubChem CID 70290208) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile
PubChem CID70290208
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(C)nc(OC)c3)cc2[nH]c1=O
InChIInChI=1S/C22H23N3O2/c1-5-16-10-17-6-7-18(11-19(17)25-21(16)26)22(3,13-23)12-15-8-14(2)24-20(9-15)27-4/h6-11H,5,12H2,1-4H3,(H,25,26)
InChIKeySUVBAMHBDKEDCX-UHFFFAOYSA-N
XLogP3.83
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile?
The IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile (CID 70290208) is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile is CCc1cc2ccc(C(C)(C#N)Cc3cc(C)nc(OC)c3)cc2[nH]c1=O.
What is the InChIKey of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile?
The InChIKey is SUVBAMHBDKEDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-5-16-10-17-6-7-18(11-19(17)25-21(16)26)22(3,13-23)12-15-8-14(2)24-20(9-15)27-4/h6-11H,5,12H2,1-4H3,(H,25,26).
What are the key properties of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile?
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile has a molecular weight of 361.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile is sourced from PubChem (CID 70290208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).