2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid

C12H9NO5 — CID 82048474

IUPAC2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
SMILESO=C(O)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C12H9NO5/c14-11(15)3-7-1-6-2-9-10(18-5-17-9)4-8(6)13-12(7)16/h1-2,4H,3,5H2,(H,13,16)(H,14,15)
InChIKeyUWXWBYWRYNRDRA-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.88
Rot. Bonds2

About 2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid

2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid (PubChem CID 82048474) has the molecular formula C12H9NO5 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
PubChem CID82048474
Molecular FormulaC12H9NO5
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Name2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
SMILESO=C(O)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C12H9NO5/c14-11(15)3-7-1-6-2-9-10(18-5-17-9)4-8(6)13-12(7)16/h1-2,4H,3,5H2,(H,13,16)(H,14,15)
InChIKeyUWXWBYWRYNRDRA-UHFFFAOYSA-N
XLogP0.88
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[2-hydroxyethyl(methyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 91823152
N-[(4-methylphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]acetamide
CID 3194281
6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
CID 3145231
1-[2-(dimethylamino)ethyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-3-phenylurea
CID 3194971
5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride
CID 10822981
2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide
CID 110326153
3-benzyl-1-[(4-fluorophenyl)methyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3195035
1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
CID 110325097
1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(oxolan-2-ylmethyl)-3-phenylurea
CID 3768716
N-cyclopentyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]pyridine-4-carboxamide
CID 23913655
N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide
CID 110331408
methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate
CID 95221558

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid?
The IUPAC name of 2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid (CID 82048474) is 2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid.
What is the SMILES notation for 2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid?
The canonical SMILES for 2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid is O=C(O)Cc1cc2cc3c(cc2[nH]c1=O)OCO3.
What is the InChIKey of 2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid?
The InChIKey is UWXWBYWRYNRDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5/c14-11(15)3-7-1-6-2-9-10(18-5-17-9)4-8(6)13-12(7)16/h1-2,4H,3,5H2,(H,13,16)(H,14,15).
What are the key properties of 2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid?
2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid has a molecular weight of 247.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid is sourced from PubChem (CID 82048474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).