2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid

C15H17NO4 — CID 82248182

IUPAC2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid
SMILESCc1[nH]c2ccc(OC(C)C)cc2c(=O)c1CC(=O)O
InChIInChI=1S/C15H17NO4/c1-8(2)20-10-4-5-13-12(6-10)15(19)11(7-14(17)18)9(3)16-13/h4-6,8H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeySQQUPRLVRXERCJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.25
Rot. Bonds4

About 2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid

2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid (PubChem CID 82248182) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid
PubChem CID82248182
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid
SMILESCc1[nH]c2ccc(OC(C)C)cc2c(=O)c1CC(=O)O
InChIInChI=1S/C15H17NO4/c1-8(2)20-10-4-5-13-12(6-10)15(19)11(7-14(17)18)9(3)16-13/h4-6,8H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeySQQUPRLVRXERCJ-UHFFFAOYSA-N
XLogP2.25
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid (CID 82248182) is 2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid is Cc1[nH]c2ccc(OC(C)C)cc2c(=O)c1CC(=O)O.
What is the InChIKey of 2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid?
The InChIKey is SQQUPRLVRXERCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-8(2)20-10-4-5-13-12(6-10)15(19)11(7-14(17)18)9(3)16-13/h4-6,8H,7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid?
2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid has a molecular weight of 275.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-6-propan-2-yloxy-1H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 82248182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).