(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide

C15H20N2O — CID 95584191

IUPAC(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESC=C(C)CN1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C
InChIInChI=1S/C15H20N2O/c1-10(2)9-17-11(3)8-13(15(16)18)12-6-4-5-7-14(12)17/h4-7,11,13H,1,8-9H2,2-3H3,(H2,16,18)/t11-,13-/m0/s1
InChIKeyJAMGHTHSNSMJGZ-AAEUAGOBSA-N
MW244.34 g/mol
LogP2.43
Rot. Bonds3

About (2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide

(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 95584191) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID95584191
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESC=C(C)CN1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C
InChIInChI=1S/C15H20N2O/c1-10(2)9-17-11(3)8-13(15(16)18)12-6-4-5-7-14(12)17/h4-7,11,13H,1,8-9H2,2-3H3,(H2,16,18)/t11-,13-/m0/s1
InChIKeyJAMGHTHSNSMJGZ-AAEUAGOBSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.43
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 (2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide (CID 95584191) is (2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide is C=C(C)CN1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C.
What is the InChIKey of (2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is JAMGHTHSNSMJGZ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)9-17-11(3)8-13(15(16)18)12-6-4-5-7-14(12)17/h4-7,11,13H,1,8-9H2,2-3H3,(H2,16,18)/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide?
(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 95584191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).