4-(2-propoxyethoxy)quinazoline-7-carboxylic acid

C14H16N2O4 — CID 63684344

IUPAC4-(2-propoxyethoxy)quinazoline-7-carboxylic acid
SMILESCCCOCCOc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C14H16N2O4/c1-2-5-19-6-7-20-13-11-4-3-10(14(17)18)8-12(11)15-9-16-13/h3-4,8-9H,2,5-7H2,1H3,(H,17,18)
InChIKeyJGKBCJLJVFBZNA-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.13
Rot. Bonds7

About 4-(2-propoxyethoxy)quinazoline-7-carboxylic acid

4-(2-propoxyethoxy)quinazoline-7-carboxylic acid (PubChem CID 63684344) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(2-propoxyethoxy)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-propoxyethoxy)quinazoline-7-carboxylic acid
PubChem CID63684344
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(2-propoxyethoxy)quinazoline-7-carboxylic acid
SMILESCCCOCCOc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C14H16N2O4/c1-2-5-19-6-7-20-13-11-4-3-10(14(17)18)8-12(11)15-9-16-13/h3-4,8-9H,2,5-7H2,1H3,(H,17,18)
InChIKeyJGKBCJLJVFBZNA-UHFFFAOYSA-N
XLogP2.13
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid
CID 63263409
4-heptoxyquinazoline-7-carboxylic acid
CID 63461088
4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid
CID 106200364
4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid
CID 106200426
4-phenylmethoxyquinazoline-7-carboxylic acid
CID 63262504
5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid
CID 63686910
4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid
CID 63263288
4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid
CID 81055547
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63686253
2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 63685915

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyethoxy)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(2-propoxyethoxy)quinazoline-7-carboxylic acid (CID 63684344) is 4-(2-propoxyethoxy)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-propoxyethoxy)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(2-propoxyethoxy)quinazoline-7-carboxylic acid is CCCOCCOc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-(2-propoxyethoxy)quinazoline-7-carboxylic acid?
The InChIKey is JGKBCJLJVFBZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-5-19-6-7-20-13-11-4-3-10(14(17)18)8-12(11)15-9-16-13/h3-4,8-9H,2,5-7H2,1H3,(H,17,18).
What are the key properties of 4-(2-propoxyethoxy)quinazoline-7-carboxylic acid?
4-(2-propoxyethoxy)quinazoline-7-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethoxy)quinazoline-7-carboxylic acid is sourced from PubChem (CID 63684344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).