2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline

C18H18N2O3 — CID 23078587

IUPAC2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
SMILESCOc1cc2nccc(Oc3ccc(C)cc3N)c2cc1OC
InChIInChI=1S/C18H18N2O3/c1-11-4-5-16(13(19)8-11)23-15-6-7-20-14-10-18(22-3)17(21-2)9-12(14)15/h4-10H,19H2,1-3H3
InChIKeyZXSVZWRRNQEUTE-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.93
Rot. Bonds4

About 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline

2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline (PubChem CID 23078587) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
PubChem CID23078587
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
SMILESCOc1cc2nccc(Oc3ccc(C)cc3N)c2cc1OC
InChIInChI=1S/C18H18N2O3/c1-11-4-5-16(13(19)8-11)23-15-6-7-20-14-10-18(22-3)17(21-2)9-12(14)15/h4-10H,19H2,1-3H3
InChIKeyZXSVZWRRNQEUTE-UHFFFAOYSA-N
XLogP3.93
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;4,6,7-trimethoxyquinoline
CID 157066291
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
4-(2-methoxy-4-methylphenoxy)pyridin-3-amine
CID 28890242
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline
CID 91595077
2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943014
2-(4-methylphenyl)sulfanylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate
CID 58738988
4-[(4-chloro-2H-indol-5-yl)oxy]-6,7-dimethoxyquinoline
CID 142864699
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline?
The IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline (CID 23078587) is 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline.
What is the SMILES notation for 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline?
The canonical SMILES for 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline is COc1cc2nccc(Oc3ccc(C)cc3N)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline?
The InChIKey is ZXSVZWRRNQEUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-4-5-16(13(19)8-11)23-15-6-7-20-14-10-18(22-3)17(21-2)9-12(14)15/h4-10H,19H2,1-3H3.
What are the key properties of 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline?
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline has a molecular weight of 310.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline is sourced from PubChem (CID 23078587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).