2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid

C16H19NO4 — CID 82250478

IUPAC2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c(=O)c2ccc(OC(C)C)cc2n1C
InChIInChI=1S/C16H19NO4/c1-9(2)21-11-5-6-12-14(7-11)17(4)10(3)13(16(12)20)8-15(18)19/h5-7,9H,8H2,1-4H3,(H,18,19)
InChIKeyFYQZBUNVVUWLAT-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.26
Rot. Bonds4

About 2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid

2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid (PubChem CID 82250478) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
PubChem CID82250478
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c(=O)c2ccc(OC(C)C)cc2n1C
InChIInChI=1S/C16H19NO4/c1-9(2)21-11-5-6-12-14(7-11)17(4)10(3)13(16(12)20)8-15(18)19/h5-7,9H,8H2,1-4H3,(H,18,19)
InChIKeyFYQZBUNVVUWLAT-UHFFFAOYSA-N
XLogP2.26
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid?
The IUPAC name of 2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid (CID 82250478) is 2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid is Cc1c(CC(=O)O)c(=O)c2ccc(OC(C)C)cc2n1C.
What is the InChIKey of 2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid?
The InChIKey is FYQZBUNVVUWLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9(2)21-11-5-6-12-14(7-11)17(4)10(3)13(16(12)20)8-15(18)19/h5-7,9H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid?
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid has a molecular weight of 289.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid is sourced from PubChem (CID 82250478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).