(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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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).