2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid

C15H19NO3 — CID 82159947

IUPAC2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
SMILESCC(C)(C)c1ccc2c(c1)NC(=O)CC2CC(=O)O
InChIInChI=1S/C15H19NO3/c1-15(2,3)10-4-5-11-9(7-14(18)19)6-13(17)16-12(11)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyROSHHOWRYATPDB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.88
Rot. Bonds2

About 2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid

2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid (PubChem CID 82159947) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
PubChem CID82159947
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
SMILESCC(C)(C)c1ccc2c(c1)NC(=O)CC2CC(=O)O
InChIInChI=1S/C15H19NO3/c1-15(2,3)10-4-5-11-9(7-14(18)19)6-13(17)16-12(11)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyROSHHOWRYATPDB-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid (CID 82159947) is 2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid is CC(C)(C)c1ccc2c(c1)NC(=O)CC2CC(=O)O.
What is the InChIKey of 2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
The InChIKey is ROSHHOWRYATPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,3)10-4-5-11-9(7-14(18)19)6-13(17)16-12(11)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 82159947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).