methyl 2-pyridin-3-ylquinazoline-8-carboxylate

C15H11N3O2 — CID 58154662

IUPACmethyl 2-pyridin-3-ylquinazoline-8-carboxylate
SMILESCOC(=O)c1cccc2cnc(-c3cccnc3)nc12
InChIInChI=1S/C15H11N3O2/c1-20-15(19)12-6-2-4-10-9-17-14(18-13(10)12)11-5-3-7-16-8-11/h2-9H,1H3
InChIKeyFDAVQQIVOIZOHQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.48
Rot. Bonds2

About methyl 2-pyridin-3-ylquinazoline-8-carboxylate

methyl 2-pyridin-3-ylquinazoline-8-carboxylate (PubChem CID 58154662) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 2-pyridin-3-ylquinazoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyridin-3-ylquinazoline-8-carboxylate
PubChem CID58154662
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Namemethyl 2-pyridin-3-ylquinazoline-8-carboxylate
SMILESCOC(=O)c1cccc2cnc(-c3cccnc3)nc12
InChIInChI=1S/C15H11N3O2/c1-20-15(19)12-6-2-4-10-9-17-14(18-13(10)12)11-5-3-7-16-8-11/h2-9H,1H3
InChIKeyFDAVQQIVOIZOHQ-UHFFFAOYSA-N
XLogP2.48
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-3-ylquinazoline-8-carboxylate?
The IUPAC name of methyl 2-pyridin-3-ylquinazoline-8-carboxylate (CID 58154662) is methyl 2-pyridin-3-ylquinazoline-8-carboxylate.
What is the SMILES notation for methyl 2-pyridin-3-ylquinazoline-8-carboxylate?
The canonical SMILES for methyl 2-pyridin-3-ylquinazoline-8-carboxylate is COC(=O)c1cccc2cnc(-c3cccnc3)nc12.
What is the InChIKey of methyl 2-pyridin-3-ylquinazoline-8-carboxylate?
The InChIKey is FDAVQQIVOIZOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-20-15(19)12-6-2-4-10-9-17-14(18-13(10)12)11-5-3-7-16-8-11/h2-9H,1H3.
What are the key properties of methyl 2-pyridin-3-ylquinazoline-8-carboxylate?
methyl 2-pyridin-3-ylquinazoline-8-carboxylate has a molecular weight of 265.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-3-ylquinazoline-8-carboxylate is sourced from PubChem (CID 58154662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).