(2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide

C19H28N2O3 — CID 10471969

IUPAC(2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCOC[C@@]1(CCC(C)=C(C)C)Nc2ccc(C(N)=O)cc2C[C@H]1O
InChIInChI=1S/C19H28N2O3/c1-12(2)13(3)7-8-19(11-24-4)17(22)10-15-9-14(18(20)23)5-6-16(15)21-19/h5-6,9,17,21-22H,7-8,10-11H2,1-4H3,(H2,20,23)/t17-,19-/m1/s1
InChIKeyHUGKMANAUQJUGU-IEBWSBKVSA-N
MW332.44 g/mol
LogP2.64
Rot. Bonds6

About (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide

(2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 10471969) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID10471969
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCOC[C@@]1(CCC(C)=C(C)C)Nc2ccc(C(N)=O)cc2C[C@H]1O
InChIInChI=1S/C19H28N2O3/c1-12(2)13(3)7-8-19(11-24-4)17(22)10-15-9-14(18(20)23)5-6-16(15)21-19/h5-6,9,17,21-22H,7-8,10-11H2,1-4H3,(H2,20,23)/t17-,19-/m1/s1
InChIKeyHUGKMANAUQJUGU-IEBWSBKVSA-N
XLogP2.64
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide 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 (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide (CID 10471969) is (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide is COC[C@@]1(CCC(C)=C(C)C)Nc2ccc(C(N)=O)cc2C[C@H]1O.
What is the InChIKey of (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is HUGKMANAUQJUGU-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)13(3)7-8-19(11-24-4)17(22)10-15-9-14(18(20)23)5-6-16(15)21-19/h5-6,9,17,21-22H,7-8,10-11H2,1-4H3,(H2,20,23)/t17-,19-/m1/s1.
What are the key properties of (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
(2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 10471969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).