3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid

C20H19NO6 — CID 175787265

IUPAC3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid
SMILESCOc1ccc2c(-c3cccc(O)c3C)ccnc2c1.O=C(O)CC(=O)O
InChIInChI=1S/C17H15NO2.C3H4O4/c1-11-13(4-3-5-17(11)19)14-8-9-18-16-10-12(20-2)6-7-15(14)16;4-2(5)1-3(6)7/h3-10,19H,1-2H3;1H2,(H,4,5)(H,6,7)
InChIKeyVZWVWHGPANGBEI-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.47
Rot. Bonds4

About 3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid

3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid (PubChem CID 175787265) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is 3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid.

Molecular Properties

Compound Name3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid
PubChem CID175787265
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid
SMILESCOc1ccc2c(-c3cccc(O)c3C)ccnc2c1.O=C(O)CC(=O)O
InChIInChI=1S/C17H15NO2.C3H4O4/c1-11-13(4-3-5-17(11)19)14-8-9-18-16-10-12(20-2)6-7-15(14)16;4-2(5)1-3(6)7/h3-10,19H,1-2H3;1H2,(H,4,5)(H,6,7)
InChIKeyVZWVWHGPANGBEI-UHFFFAOYSA-N
XLogP3.47
TPSA116.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol
CID 170169423
bis[4-(7-methoxyquinolin-4-yl)-2-methylphenyl] propanedioate
CID 175394062
[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
CID 175036962
N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
CID 50877911
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one
CID 159457139
7-methoxy-N-(3-methylphenyl)quinolin-4-amine
CID 50877899
4,7-dimethoxyquinoline
CID 20743716
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate
CID 59694298
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid?
The IUPAC name of 3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid (CID 175787265) is 3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid.
What is the SMILES notation for 3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid?
The canonical SMILES for 3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid is COc1ccc2c(-c3cccc(O)c3C)ccnc2c1.O=C(O)CC(=O)O.
What is the InChIKey of 3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid?
The InChIKey is VZWVWHGPANGBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2.C3H4O4/c1-11-13(4-3-5-17(11)19)14-8-9-18-16-10-12(20-2)6-7-15(14)16;4-2(5)1-3(6)7/h3-10,19H,1-2H3;1H2,(H,4,5)(H,6,7).
What are the key properties of 3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid?
3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid has a molecular weight of 369.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxyquinolin-4-yl)-2-methylphenol;propanedioic acid is sourced from PubChem (CID 175787265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).