methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate

C22H18N4O3 — CID 70789665

IUPACmethyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1OC
InChIInChI=1S/C22H18N4O3/c1-28-19-13-15(7-8-17(19)22(27)29-2)24-21-16-5-3-4-6-18(16)25-20(26-21)14-9-11-23-12-10-14/h3-13H,1-2H3,(H,24,25,26)
InChIKeyFNQVRBUQOISMRW-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.23
Rot. Bonds5

About methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate

methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate (PubChem CID 70789665) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
PubChem CID70789665
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Namemethyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1OC
InChIInChI=1S/C22H18N4O3/c1-28-19-13-15(7-8-17(19)22(27)29-2)24-21-16-5-3-4-6-18(16)25-20(26-21)14-9-11-23-12-10-14/h3-13H,1-2H3,(H,24,25,26)
InChIKeyFNQVRBUQOISMRW-UHFFFAOYSA-N
XLogP4.23
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate?
The IUPAC name of methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate (CID 70789665) is methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate?
The canonical SMILES for methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate is COC(=O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate?
The InChIKey is FNQVRBUQOISMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-28-19-13-15(7-8-17(19)22(27)29-2)24-21-16-5-3-4-6-18(16)25-20(26-21)14-9-11-23-12-10-14/h3-13H,1-2H3,(H,24,25,26).
What are the key properties of methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate?
methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate has a molecular weight of 386.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate is sourced from PubChem (CID 70789665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).