2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid

C19H18N2O6 — CID 3068392

IUPAC2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid
SMILESCOc1cc(-c2nc3ccccc3c(=O)n2CC(=O)O)cc(OC)c1OC
InChIInChI=1S/C19H18N2O6/c1-25-14-8-11(9-15(26-2)17(14)27-3)18-20-13-7-5-4-6-12(13)19(24)21(18)10-16(22)23/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyJQHSAGGHDCNUKD-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.17
Rot. Bonds6

About 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid

2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid (PubChem CID 3068392) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid
PubChem CID3068392
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid
SMILESCOc1cc(-c2nc3ccccc3c(=O)n2CC(=O)O)cc(OC)c1OC
InChIInChI=1S/C19H18N2O6/c1-25-14-8-11(9-15(26-2)17(14)27-3)18-20-13-7-5-4-6-12(13)19(24)21(18)10-16(22)23/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyJQHSAGGHDCNUKD-UHFFFAOYSA-N
XLogP2.17
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid?
The IUPAC name of 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid (CID 3068392) is 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid is COc1cc(-c2nc3ccccc3c(=O)n2CC(=O)O)cc(OC)c1OC.
What is the InChIKey of 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid?
The InChIKey is JQHSAGGHDCNUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-25-14-8-11(9-15(26-2)17(14)27-3)18-20-13-7-5-4-6-12(13)19(24)21(18)10-16(22)23/h4-9H,10H2,1-3H3,(H,22,23).
What are the key properties of 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid?
2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid has a molecular weight of 370.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid is sourced from PubChem (CID 3068392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).