4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol

C18H18N2O2 — CID 110435658

IUPAC4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol
SMILESCOc1ccc2c(Nc3ccc(O)cc3C)cc(C)nc2c1
InChIInChI=1S/C18H18N2O2/c1-11-8-13(21)4-7-16(11)20-17-9-12(2)19-18-10-14(22-3)5-6-15(17)18/h4-10,21H,1-3H3,(H,19,20)
InChIKeyAQBSHZCCSDMMLH-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.31
Rot. Bonds3

About 4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol

4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol (PubChem CID 110435658) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol.

Molecular Properties

Compound Name4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol
PubChem CID110435658
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol
SMILESCOc1ccc2c(Nc3ccc(O)cc3C)cc(C)nc2c1
InChIInChI=1S/C18H18N2O2/c1-11-8-13(21)4-7-16(11)20-17-9-12(2)19-18-10-14(22-3)5-6-15(17)18/h4-10,21H,1-3H3,(H,19,20)
InChIKeyAQBSHZCCSDMMLH-UHFFFAOYSA-N
XLogP4.31
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-7-methoxy-2-methylquinolin-4-amine
CID 110433200
4-(3-methoxyanilino)-2-methylquinolin-7-ol;hydrochloride
CID 135802999
N-(4-fluorophenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435606
7-methoxy-N-(2-methoxyphenyl)-2-methylquinolin-4-amine
CID 110435616
7-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435602
N-(3,4-dimethoxyphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435623
4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 110435636
N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 22417905
N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine
CID 110432925
N-cyclopentyl-7-methoxy-2-methylquinolin-4-amine
CID 110432874
4-bromo-7-methoxy-2-methylquinoline
CID 11550580
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol?
The IUPAC name of 4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol (CID 110435658) is 4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol.
What is the SMILES notation for 4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol?
The canonical SMILES for 4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol is COc1ccc2c(Nc3ccc(O)cc3C)cc(C)nc2c1.
What is the InChIKey of 4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol?
The InChIKey is AQBSHZCCSDMMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-8-13(21)4-7-16(11)20-17-9-12(2)19-18-10-14(22-3)5-6-15(17)18/h4-10,21H,1-3H3,(H,19,20).
What are the key properties of 4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol?
4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol has a molecular weight of 294.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol is sourced from PubChem (CID 110435658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).