4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid

C22H18N4O3 — CID 23157875

IUPAC4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid
SMILESCNc1ncc2c(-c3ccccn3)cc(-c3ccc(C(=O)O)cc3)c(OC)c2n1
InChIInChI=1S/C22H18N4O3/c1-23-22-25-12-17-16(18-5-3-4-10-24-18)11-15(20(29-2)19(17)26-22)13-6-8-14(9-7-13)21(27)28/h3-12H,1-2H3,(H,27,28)(H,23,25,26)
InChIKeyMIMNOGWXELGNGW-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.11
Rot. Bonds5

About 4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid

4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid (PubChem CID 23157875) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid.

Molecular Properties

Compound Name4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid
PubChem CID23157875
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid
SMILESCNc1ncc2c(-c3ccccn3)cc(-c3ccc(C(=O)O)cc3)c(OC)c2n1
InChIInChI=1S/C22H18N4O3/c1-23-22-25-12-17-16(18-5-3-4-10-24-18)11-15(20(29-2)19(17)26-22)13-6-8-14(9-7-13)21(27)28/h3-12H,1-2H3,(H,27,28)(H,23,25,26)
InChIKeyMIMNOGWXELGNGW-UHFFFAOYSA-N
XLogP4.11
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid?
The IUPAC name of 4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid (CID 23157875) is 4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid.
What is the SMILES notation for 4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid?
The canonical SMILES for 4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid is CNc1ncc2c(-c3ccccn3)cc(-c3ccc(C(=O)O)cc3)c(OC)c2n1.
What is the InChIKey of 4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid?
The InChIKey is MIMNOGWXELGNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-23-22-25-12-17-16(18-5-3-4-10-24-18)11-15(20(29-2)19(17)26-22)13-6-8-14(9-7-13)21(27)28/h3-12H,1-2H3,(H,27,28)(H,23,25,26).
What are the key properties of 4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid?
4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid has a molecular weight of 386.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methoxy-2-(methylamino)-5-pyridin-2-ylquinazolin-7-yl]benzoic acid is sourced from PubChem (CID 23157875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).