(2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C17H22N2O — CID 95173136

IUPAC(2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESC[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1[C@H]1C=CCCC1
InChIInChI=1S/C17H22N2O/c1-12-11-15(17(18)20)14-9-5-6-10-16(14)19(12)13-7-3-2-4-8-13/h3,5-7,9-10,12-13,15H,2,4,8,11H2,1H3,(H2,18,20)/t12-,13+,15-/m1/s1
InChIKeyOZHJEQNXOYHBRT-VNHYZAJKSA-N
MW270.38 g/mol
LogP2.96
Rot. Bonds2

About (2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

(2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 95173136) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID95173136
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESC[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1[C@H]1C=CCCC1
InChIInChI=1S/C17H22N2O/c1-12-11-15(17(18)20)14-9-5-6-10-16(14)19(12)13-7-3-2-4-8-13/h3,5-7,9-10,12-13,15H,2,4,8,11H2,1H3,(H2,18,20)/t12-,13+,15-/m1/s1
InChIKeyOZHJEQNXOYHBRT-VNHYZAJKSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 95173136) is (2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1[C@H]1C=CCCC1.
What is the InChIKey of (2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is OZHJEQNXOYHBRT-VNHYZAJKSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-11-15(17(18)20)14-9-5-6-10-16(14)19(12)13-7-3-2-4-8-13/h3,5-7,9-10,12-13,15H,2,4,8,11H2,1H3,(H2,18,20)/t12-,13+,15-/m1/s1.
What are the key properties of (2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
(2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[(1R)-cyclohex-2-en-1-yl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 95173136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).