4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid

C14H15N3O3 — CID 63263123

IUPAC4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid
SMILESCC1CN(c2ncnc3cc(C(=O)O)ccc23)CCO1
InChIInChI=1S/C14H15N3O3/c1-9-7-17(4-5-20-9)13-11-3-2-10(14(18)19)6-12(11)15-8-16-13/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,19)
InChIKeyYQXUAZUWPIFGKC-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.55
Rot. Bonds2

About 4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid

4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid (PubChem CID 63263123) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid
PubChem CID63263123
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid
SMILESCC1CN(c2ncnc3cc(C(=O)O)ccc23)CCO1
InChIInChI=1S/C14H15N3O3/c1-9-7-17(4-5-20-9)13-11-3-2-10(14(18)19)6-12(11)15-8-16-13/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,19)
InChIKeyYQXUAZUWPIFGKC-UHFFFAOYSA-N
XLogP1.55
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid (CID 63263123) is 4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid is CC1CN(c2ncnc3cc(C(=O)O)ccc23)CCO1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid?
The InChIKey is YQXUAZUWPIFGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-7-17(4-5-20-9)13-11-3-2-10(14(18)19)6-12(11)15-8-16-13/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid?
4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid is sourced from PubChem (CID 63263123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).