3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid

C15H17N3O4 — CID 154771473

IUPAC3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1cccc2ncnc(N3CCC(OC)(C(=O)O)C3)c12
InChIInChI=1S/C15H17N3O4/c1-21-11-5-3-4-10-12(11)13(17-9-16-10)18-7-6-15(8-18,22-2)14(19)20/h3-5,9H,6-8H2,1-2H3,(H,19,20)
InChIKeyIPFOCGAPTJUJLA-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.32
Rot. Bonds4

About 3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid

3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 154771473) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID154771473
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1cccc2ncnc(N3CCC(OC)(C(=O)O)C3)c12
InChIInChI=1S/C15H17N3O4/c1-21-11-5-3-4-10-12(11)13(17-9-16-10)18-7-6-15(8-18,22-2)14(19)20/h3-5,9H,6-8H2,1-2H3,(H,19,20)
InChIKeyIPFOCGAPTJUJLA-UHFFFAOYSA-N
XLogP1.32
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-methoxyquinazolin-2-amine;oxalic acid
CID 49859834
2-[2-Methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanoic acid
CID 164619338
1-[7-Methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylic acid
CID 21003744
1-(8-Fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid
CID 122047355
1-(8-Fluoro-7-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048411
2-[(8-Fluoro-7-methoxyquinazolin-4-yl)-methylamino]propanoic acid
CID 122048804
2-[(8-Fluoro-7-methoxyquinazolin-4-yl)-propylamino]acetic acid
CID 122051333
(2R)-1-(8-fluoro-7-methoxyquinazolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051685
1-(8-Fluoro-7-methoxyquinazolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052616
1-(8-Fluoro-7-methoxyquinazolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058752
3-[(8-Fluoro-7-methoxyquinazolin-4-yl)-methylamino]propanoic acid
CID 122059312
(2S)-1-(8-fluoro-7-methoxyquinazolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059645

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid (CID 154771473) is 3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid is COc1cccc2ncnc(N3CCC(OC)(C(=O)O)C3)c12.
What is the InChIKey of 3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is IPFOCGAPTJUJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-21-11-5-3-4-10-12(11)13(17-9-16-10)18-7-6-15(8-18,22-2)14(19)20/h3-5,9H,6-8H2,1-2H3,(H,19,20).
What are the key properties of 3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid?
3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 154771473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).