3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid

C19H18N4O3 — CID 167777227

IUPAC3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCOC1(C(=O)O)CCN(c2nc(-c3cccnc3)nc3ccccc23)C1
InChIInChI=1S/C19H18N4O3/c1-26-19(18(24)25)8-10-23(12-19)17-14-6-2-3-7-15(14)21-16(22-17)13-5-4-9-20-11-13/h2-7,9,11H,8,10,12H2,1H3,(H,24,25)
InChIKeyMYUJIXJYGDOGFH-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.37
Rot. Bonds4

About 3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid

3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 167777227) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID167777227
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCOC1(C(=O)O)CCN(c2nc(-c3cccnc3)nc3ccccc23)C1
InChIInChI=1S/C19H18N4O3/c1-26-19(18(24)25)8-10-23(12-19)17-14-6-2-3-7-15(14)21-16(22-17)13-5-4-9-20-11-13/h2-7,9,11H,8,10,12H2,1H3,(H,24,25)
InChIKeyMYUJIXJYGDOGFH-UHFFFAOYSA-N
XLogP2.37
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid (CID 167777227) is 3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid is COC1(C(=O)O)CCN(c2nc(-c3cccnc3)nc3ccccc23)C1.
What is the InChIKey of 3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is MYUJIXJYGDOGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-26-19(18(24)25)8-10-23(12-19)17-14-6-2-3-7-15(14)21-16(22-17)13-5-4-9-20-11-13/h2-7,9,11H,8,10,12H2,1H3,(H,24,25).
What are the key properties of 3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid?
3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 350.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 167777227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).