4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid

C14H17N3O3 — CID 81055547

IUPAC4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid
SMILESCCOCCN(C)c1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C14H17N3O3/c1-3-20-7-6-17(2)13-11-5-4-10(14(18)19)8-12(11)15-9-16-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyCHHNNISCBJHDST-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.80
Rot. Bonds6

About 4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid

4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid (PubChem CID 81055547) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid
PubChem CID81055547
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid
SMILESCCOCCN(C)c1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C14H17N3O3/c1-3-20-7-6-17(2)13-11-5-4-10(14(18)19)8-12(11)15-9-16-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyCHHNNISCBJHDST-UHFFFAOYSA-N
XLogP1.80
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid?
The IUPAC name of 4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid (CID 81055547) is 4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid?
The canonical SMILES for 4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid is CCOCCN(C)c1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid?
The InChIKey is CHHNNISCBJHDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-20-7-6-17(2)13-11-5-4-10(14(18)19)8-12(11)15-9-16-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid?
4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid is sourced from PubChem (CID 81055547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).