2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid

C14H16FN3O3 — CID 122051333

IUPAC2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ncnc2c(F)c(OC)ccc12
InChIInChI=1S/C14H16FN3O3/c1-3-6-18(7-11(19)20)14-9-4-5-10(21-2)12(15)13(9)16-8-17-14/h4-5,8H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyIKLPEKKJTLJPKU-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.08
Rot. Bonds6

About 2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid

2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid (PubChem CID 122051333) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid
PubChem CID122051333
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ncnc2c(F)c(OC)ccc12
InChIInChI=1S/C14H16FN3O3/c1-3-6-18(7-11(19)20)14-9-4-5-10(21-2)12(15)13(9)16-8-17-14/h4-5,8H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyIKLPEKKJTLJPKU-UHFFFAOYSA-N
XLogP2.08
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid (CID 122051333) is 2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1ncnc2c(F)c(OC)ccc12.
What is the InChIKey of 2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid?
The InChIKey is IKLPEKKJTLJPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-3-6-18(7-11(19)20)14-9-4-5-10(21-2)12(15)13(9)16-8-17-14/h4-5,8H,3,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid?
2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid has a molecular weight of 293.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid is sourced from PubChem (CID 122051333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).