2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid

C16H16N2O4 — CID 129191256

IUPAC2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2nc(=O)[nH]c3c2CCCC3)cc1
InChIInChI=1S/C16H16N2O4/c19-14(20)9-10-5-7-11(8-6-10)22-15-12-3-1-2-4-13(12)17-16(21)18-15/h5-8H,1-4,9H2,(H,19,20)(H,17,18,21)
InChIKeyLLALZBDKHFMRQE-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.07
Rot. Bonds4

About 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid

2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid (PubChem CID 129191256) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid
PubChem CID129191256
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2nc(=O)[nH]c3c2CCCC3)cc1
InChIInChI=1S/C16H16N2O4/c19-14(20)9-10-5-7-11(8-6-10)22-15-12-3-1-2-4-13(12)17-16(21)18-15/h5-8H,1-4,9H2,(H,19,20)(H,17,18,21)
InChIKeyLLALZBDKHFMRQE-UHFFFAOYSA-N
XLogP2.07
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid (CID 129191256) is 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid is O=C(O)Cc1ccc(Oc2nc(=O)[nH]c3c2CCCC3)cc1.
What is the InChIKey of 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid?
The InChIKey is LLALZBDKHFMRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-14(20)9-10-5-7-11(8-6-10)22-15-12-3-1-2-4-13(12)17-16(21)18-15/h5-8H,1-4,9H2,(H,19,20)(H,17,18,21).
What are the key properties of 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid?
2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid has a molecular weight of 300.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)oxy]phenyl]acetic acid is sourced from PubChem (CID 129191256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).