(2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile

C25H26N2O2 — CID 25064423

IUPAC(2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile
SMILESCCc1cc2ccc([C@@](C)(C#N)CC3CCc4cc(C)ccc4O3)cc2[nH]c1=O
InChIInChI=1S/C25H26N2O2/c1-4-17-12-18-6-8-20(13-22(18)27-24(17)28)25(3,15-26)14-21-9-7-19-11-16(2)5-10-23(19)29-21/h5-6,8,10-13,21H,4,7,9,14H2,1-3H3,(H,27,28)/t21?,25-/m1/s1
InChIKeyFEMBMDIDQAHOSN-UIDYPRJRSA-N
MW386.50 g/mol
LogP4.96
Rot. Bonds4

About (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile

(2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile (PubChem CID 25064423) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile.

Molecular Properties

Compound Name(2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile
PubChem CID25064423
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile
SMILESCCc1cc2ccc([C@@](C)(C#N)CC3CCc4cc(C)ccc4O3)cc2[nH]c1=O
InChIInChI=1S/C25H26N2O2/c1-4-17-12-18-6-8-20(13-22(18)27-24(17)28)25(3,15-26)14-21-9-7-19-11-16(2)5-10-23(19)29-21/h5-6,8,10-13,21H,4,7,9,14H2,1-3H3,(H,27,28)/t21?,25-/m1/s1
InChIKeyFEMBMDIDQAHOSN-UIDYPRJRSA-N
XLogP4.96
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile?
The IUPAC name of (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile (CID 25064423) is (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile.
What is the SMILES notation for (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile?
The canonical SMILES for (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile is CCc1cc2ccc([C@@](C)(C#N)CC3CCc4cc(C)ccc4O3)cc2[nH]c1=O.
What is the InChIKey of (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile?
The InChIKey is FEMBMDIDQAHOSN-UIDYPRJRSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-4-17-12-18-6-8-20(13-22(18)27-24(17)28)25(3,15-26)14-21-9-7-19-11-16(2)5-10-23(19)29-21/h5-6,8,10-13,21H,4,7,9,14H2,1-3H3,(H,27,28)/t21?,25-/m1/s1.
What are the key properties of (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile?
(2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile has a molecular weight of 386.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propanenitrile is sourced from PubChem (CID 25064423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).