4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid

C15H17N3O3 — CID 63867257

IUPAC4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid
SMILESCN(c1nc(C(=O)O)nc2ccccc12)C1CCOCC1
InChIInChI=1S/C15H17N3O3/c1-18(10-6-8-21-9-7-10)14-11-4-2-3-5-12(11)16-13(17-14)15(19)20/h2-5,10H,6-9H2,1H3,(H,19,20)
InChIKeyFXSLVXSGHARIMH-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.94
Rot. Bonds3

About 4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid

4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid (PubChem CID 63867257) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid
PubChem CID63867257
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid
SMILESCN(c1nc(C(=O)O)nc2ccccc12)C1CCOCC1
InChIInChI=1S/C15H17N3O3/c1-18(10-6-8-21-9-7-10)14-11-4-2-3-5-12(11)16-13(17-14)15(19)20/h2-5,10H,6-9H2,1H3,(H,19,20)
InChIKeyFXSLVXSGHARIMH-UHFFFAOYSA-N
XLogP1.94
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid (CID 63867257) is 4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid is CN(c1nc(C(=O)O)nc2ccccc12)C1CCOCC1.
What is the InChIKey of 4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid?
The InChIKey is FXSLVXSGHARIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(10-6-8-21-9-7-10)14-11-4-2-3-5-12(11)16-13(17-14)15(19)20/h2-5,10H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid?
4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 63867257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).