2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid

C15H18N2O4 — CID 39234665

IUPAC2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid
SMILESCOc1cc(OC)c2nc(CC(=O)O)cc(N(C)C)c2c1
InChIInChI=1S/C15H18N2O4/c1-17(2)12-5-9(6-14(18)19)16-15-11(12)7-10(20-3)8-13(15)21-4/h5,7-8H,6H2,1-4H3,(H,18,19)
InChIKeyBBBRPFOVYLFUNS-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.95
Rot. Bonds5

About 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid

2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid (PubChem CID 39234665) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid
PubChem CID39234665
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid
SMILESCOc1cc(OC)c2nc(CC(=O)O)cc(N(C)C)c2c1
InChIInChI=1S/C15H18N2O4/c1-17(2)12-5-9(6-14(18)19)16-15-11(12)7-10(20-3)8-13(15)21-4/h5,7-8H,6H2,1-4H3,(H,18,19)
InChIKeyBBBRPFOVYLFUNS-UHFFFAOYSA-N
XLogP1.95
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid 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

2-(aminomethyl)-6,8-dimethoxy-N,N,3-trimethylquinolin-4-amine
CID 82248240
4-chloro-2-ethyl-6,8-dimethoxyquinoline
CID 43668808
2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate
CID 39234664
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid
CID 39234576
2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
CID 117321866
2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574937
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid
CID 82575012
1-(6,8-dimethoxy-4-methylquinolin-2-yl)propan-2-amine
CID 82577528
2-ethyl-6,8-dimethoxy-N-propylquinolin-4-amine
CID 63480277
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid (CID 39234665) is 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid is COc1cc(OC)c2nc(CC(=O)O)cc(N(C)C)c2c1.
What is the InChIKey of 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid?
The InChIKey is BBBRPFOVYLFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17(2)12-5-9(6-14(18)19)16-15-11(12)7-10(20-3)8-13(15)21-4/h5,7-8H,6H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid?
2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid is sourced from PubChem (CID 39234665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).