(4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol

C16H21NO3 — CID 70839350

IUPAC(4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol
SMILESCCCCOc1c(C)c(CO)nc2ccc(OC)cc12
InChIInChI=1S/C16H21NO3/c1-4-5-8-20-16-11(2)15(10-18)17-14-7-6-12(19-3)9-13(14)16/h6-7,9,18H,4-5,8,10H2,1-3H3
InChIKeyMWMNAXQNZFRSLU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.22
Rot. Bonds6

About (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol

(4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol (PubChem CID 70839350) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol.

Molecular Properties

Compound Name(4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol
PubChem CID70839350
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol
SMILESCCCCOc1c(C)c(CO)nc2ccc(OC)cc12
InChIInChI=1S/C16H21NO3/c1-4-5-8-20-16-11(2)15(10-18)17-14-7-6-12(19-3)9-13(14)16/h6-7,9,18H,4-5,8,10H2,1-3H3
InChIKeyMWMNAXQNZFRSLU-UHFFFAOYSA-N
XLogP3.22
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol 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

3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
CID 53475922
[3-(aminomethyl)-4-ethyl-6-methoxyquinolin-2-yl]methanol
CID 56600408
4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline
CID 89063746
6-methoxy-2,4-dimethylquinolin-3-ol
CID 123803220
(6-methoxy-4-methylquinolin-2-yl)methanol
CID 82576399
4-butoxy-2-[[3-methoxy-5-(3-methyl-3-nitrosobutoxy)phenoxy]methyl]-3-methylquinoline
CID 89063758
2-[(3-bromophenoxy)methyl]-4-butoxy-6-fluoro-3-methylquinoline
CID 70839335
4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline
CID 70884224
4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde
CID 89063807
6-butoxy-4-methylquinoline-2-carbothioamide
CID 82574245
3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride
CID 57386077
1-methoxy-4-tetradecoxybenzene
CID 91712423

Frequently Asked Questions

What is the IUPAC name of (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol?
The IUPAC name of (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol (CID 70839350) is (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol.
What is the SMILES notation for (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol?
The canonical SMILES for (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol is CCCCOc1c(C)c(CO)nc2ccc(OC)cc12.
What is the InChIKey of (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol?
The InChIKey is MWMNAXQNZFRSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-5-8-20-16-11(2)15(10-18)17-14-7-6-12(19-3)9-13(14)16/h6-7,9,18H,4-5,8,10H2,1-3H3.
What are the key properties of (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol?
(4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol has a molecular weight of 275.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol is sourced from PubChem (CID 70839350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).