2-(7-methoxy-4-methylquinolin-2-yl)acetic acid

C13H13NO3 — CID 82574913

IUPAC2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
SMILESCOc1ccc2c(C)cc(CC(=O)O)nc2c1
InChIInChI=1S/C13H13NO3/c1-8-5-9(6-13(15)16)14-12-7-10(17-2)3-4-11(8)12/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyCSLCRBUXGXPBAQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.18
Rot. Bonds3

About 2-(7-methoxy-4-methylquinolin-2-yl)acetic acid

2-(7-methoxy-4-methylquinolin-2-yl)acetic acid (PubChem CID 82574913) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(7-methoxy-4-methylquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
PubChem CID82574913
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
SMILESCOc1ccc2c(C)cc(CC(=O)O)nc2c1
InChIInChI=1S/C13H13NO3/c1-8-5-9(6-13(15)16)14-12-7-10(17-2)3-4-11(8)12/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyCSLCRBUXGXPBAQ-UHFFFAOYSA-N
XLogP2.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(7-methoxy-4-methylquinolin-2-yl)butan-2-ol
CID 97120885
4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine
CID 82577735
(6-methoxy-4-methylquinolin-2-yl)methanol
CID 82576399
3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine
CID 82576819
7-methoxy-4-methylquinolin-2-amine
CID 53485904
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
7-methoxy-N,4-dimethylquinolin-2-amine
CID 84619850
methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
CID 82575136
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251
2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid
CID 20525674
2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid
CID 39234576

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)acetic acid (CID 82574913) is 2-(7-methoxy-4-methylquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-4-methylquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-4-methylquinolin-2-yl)acetic acid is COc1ccc2c(C)cc(CC(=O)O)nc2c1.
What is the InChIKey of 2-(7-methoxy-4-methylquinolin-2-yl)acetic acid?
The InChIKey is CSLCRBUXGXPBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-5-9(6-13(15)16)14-12-7-10(17-2)3-4-11(8)12/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(7-methoxy-4-methylquinolin-2-yl)acetic acid?
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid has a molecular weight of 231.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methylquinolin-2-yl)acetic acid is sourced from PubChem (CID 82574913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).