(4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol

C13H17NO2 — CID 125494089

IUPAC(4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol
SMILESC=CCN1CC[C@H](O)c2ccc(OC)cc21
InChIInChI=1S/C13H17NO2/c1-3-7-14-8-6-13(15)11-5-4-10(16-2)9-12(11)14/h3-5,9,13,15H,1,6-8H2,2H3/t13-/m0/s1
InChIKeyORHSAUIBTSABNU-ZDUSSCGKSA-N
MW219.28 g/mol
LogP2.12
Rot. Bonds3

About (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol

(4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 125494089) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name(4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID125494089
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol
SMILESC=CCN1CC[C@H](O)c2ccc(OC)cc21
InChIInChI=1S/C13H17NO2/c1-3-7-14-8-6-13(15)11-5-4-10(16-2)9-12(11)14/h3-5,9,13,15H,1,6-8H2,2H3/t13-/m0/s1
InChIKeyORHSAUIBTSABNU-ZDUSSCGKSA-N
XLogP2.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-hydroxy-7-methoxy-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110637157
cyclobutyl-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637163
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 102880144
(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 110637097
1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one
CID 110637106
7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
CID 110637203
1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637189
(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637100
7-methoxy-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637194
7-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637195
(2,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637145
4-hydroxy-6-methoxy-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636732

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol (CID 125494089) is (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol is C=CCN1CC[C@H](O)c2ccc(OC)cc21.
What is the InChIKey of (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is ORHSAUIBTSABNU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-7-14-8-6-13(15)11-5-4-10(16-2)9-12(11)14/h3-5,9,13,15H,1,6-8H2,2H3/t13-/m0/s1.
What are the key properties of (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol?
(4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 219.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 125494089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).