(2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile

C22H24N4O4 — CID 59393189

IUPAC(2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
SMILESCCc1cc2c(OC)cc([C@](C)(C#N)Cc3nc(OC)cc(OC)n3)cc2[nH]c1=O
InChIInChI=1S/C22H24N4O4/c1-6-13-7-15-16(24-21(13)27)8-14(9-17(15)28-3)22(2,12-23)11-18-25-19(29-4)10-20(26-18)30-5/h7-10H,6,11H2,1-5H3,(H,24,27)/t22-/m0/s1
InChIKeyFDXHDEKWAVRZGT-QFIPXVFZSA-N
MW408.46 g/mol
LogP2.93
Rot. Bonds7

About (2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile

(2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile (PubChem CID 59393189) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name(2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
PubChem CID59393189
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
SMILESCCc1cc2c(OC)cc([C@](C)(C#N)Cc3nc(OC)cc(OC)n3)cc2[nH]c1=O
InChIInChI=1S/C22H24N4O4/c1-6-13-7-15-16(24-21(13)27)8-14(9-17(15)28-3)22(2,12-23)11-18-25-19(29-4)10-20(26-18)30-5/h7-10H,6,11H2,1-5H3,(H,24,27)/t22-/m0/s1
InChIKeyFDXHDEKWAVRZGT-QFIPXVFZSA-N
XLogP2.93
TPSA110.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyrimidine-4-carbonitrile
CID 59393007
2-(6-chloro-3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanenitrile
CID 59393363
2-[(4,6-dimethoxypyrimidin-2-yl)methyl]-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)butanenitrile
CID 59393295
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile
CID 59393338
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile
CID 70290208
4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile
CID 59393310
3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 59393526
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-(4-methoxypyrimidin-2-yl)oxy-2-methylbutanenitrile
CID 59393441
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-[3-(methoxymethyl)phenyl]-2-methylpropanenitrile
CID 59393308
3-[2-chloro-6-(2-methoxyethoxy)pyrimidin-4-yl]-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 59393485
3-(2-chloro-6-methoxy-3-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile;3-(6-chloro-2-methoxy-3-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile;methane
CID 161090660
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile
CID 59393271

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
The IUPAC name of (2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile (CID 59393189) is (2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile.
What is the SMILES notation for (2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
The canonical SMILES for (2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile is CCc1cc2c(OC)cc([C@](C)(C#N)Cc3nc(OC)cc(OC)n3)cc2[nH]c1=O.
What is the InChIKey of (2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
The InChIKey is FDXHDEKWAVRZGT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-6-13-7-15-16(24-21(13)27)8-14(9-17(15)28-3)22(2,12-23)11-18-25-19(29-4)10-20(26-18)30-5/h7-10H,6,11H2,1-5H3,(H,24,27)/t22-/m0/s1.
What are the key properties of (2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
(2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile has a molecular weight of 408.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-5-methoxy-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile is sourced from PubChem (CID 59393189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).