3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid

C16H19N3O4 — CID 163274731

IUPAC3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid
SMILESCOc1cc2ncnc(N3CC(CCC(=O)O)C3)c2cc1OC
InChIInChI=1S/C16H19N3O4/c1-22-13-5-11-12(6-14(13)23-2)17-9-18-16(11)19-7-10(8-19)3-4-15(20)21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeyNZAUFKGAJOINKC-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.95
Rot. Bonds6

About 3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid

3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid (PubChem CID 163274731) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid
PubChem CID163274731
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid
SMILESCOc1cc2ncnc(N3CC(CCC(=O)O)C3)c2cc1OC
InChIInChI=1S/C16H19N3O4/c1-22-13-5-11-12(6-14(13)23-2)17-9-18-16(11)19-7-10(8-19)3-4-15(20)21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeyNZAUFKGAJOINKC-UHFFFAOYSA-N
XLogP1.95
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid (CID 163274731) is 3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid is COc1cc2ncnc(N3CC(CCC(=O)O)C3)c2cc1OC.
What is the InChIKey of 3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid?
The InChIKey is NZAUFKGAJOINKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-22-13-5-11-12(6-14(13)23-2)17-9-18-16(11)19-7-10(8-19)3-4-15(20)21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21).
What are the key properties of 3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid?
3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 163274731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).