2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid

C14H15NO5 — CID 82248592

IUPAC2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid
SMILESCOc1ccc2c(=O)cc(CC(=O)O)n(CCO)c2c1
InChIInChI=1S/C14H15NO5/c1-20-10-2-3-11-12(8-10)15(4-5-16)9(6-13(11)17)7-14(18)19/h2-3,6,8,16H,4-5,7H2,1H3,(H,18,19)
InChIKeyMLRBXJHULBZZEI-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.63
Rot. Bonds5

About 2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid

2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid (PubChem CID 82248592) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid
PubChem CID82248592
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid
SMILESCOc1ccc2c(=O)cc(CC(=O)O)n(CCO)c2c1
InChIInChI=1S/C14H15NO5/c1-20-10-2-3-11-12(8-10)15(4-5-16)9(6-13(11)17)7-14(18)19/h2-3,6,8,16H,4-5,7H2,1H3,(H,18,19)
InChIKeyMLRBXJHULBZZEI-UHFFFAOYSA-N
XLogP0.63
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid
CID 82244447
2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid
CID 82247796
1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one
CID 59398402
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435
2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82248619
6-[5-(5-carboxypentyl)-2,9-dimethoxy-7,14-dioxoquinolino[2,3-b]acridin-12-yl]hexanoic acid
CID 67023990
3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid
CID 68631645
1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251138
2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid (CID 82248592) is 2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid is COc1ccc2c(=O)cc(CC(=O)O)n(CCO)c2c1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid?
The InChIKey is MLRBXJHULBZZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-20-10-2-3-11-12(8-10)15(4-5-16)9(6-13(11)17)7-14(18)19/h2-3,6,8,16H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid?
2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid has a molecular weight of 277.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid is sourced from PubChem (CID 82248592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).