2-pyridin-4-yl-1,4-dihydroquinazoline

C13H11N3 — CID 90785207

IUPAC2-pyridin-4-yl-1,4-dihydroquinazoline
SMILESc1ccc2c(c1)CN=C(c1ccncc1)N2
InChIInChI=1S/C13H11N3/c1-2-4-12-11(3-1)9-15-13(16-12)10-5-7-14-8-6-10/h1-8H,9H2,(H,15,16)
InChIKeyRYMPFEYVHMSOKK-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.45
Rot. Bonds1

About 2-pyridin-4-yl-1,4-dihydroquinazoline

2-pyridin-4-yl-1,4-dihydroquinazoline (PubChem CID 90785207) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-pyridin-4-yl-1,4-dihydroquinazoline.

Molecular Properties

Compound Name2-pyridin-4-yl-1,4-dihydroquinazoline
PubChem CID90785207
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-pyridin-4-yl-1,4-dihydroquinazoline
SMILESc1ccc2c(c1)CN=C(c1ccncc1)N2
InChIInChI=1S/C13H11N3/c1-2-4-12-11(3-1)9-15-13(16-12)10-5-7-14-8-6-10/h1-8H,9H2,(H,15,16)
InChIKeyRYMPFEYVHMSOKK-UHFFFAOYSA-N
XLogP2.45
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1,4-dihydroquinazoline?
The IUPAC name of 2-pyridin-4-yl-1,4-dihydroquinazoline (CID 90785207) is 2-pyridin-4-yl-1,4-dihydroquinazoline.
What is the SMILES notation for 2-pyridin-4-yl-1,4-dihydroquinazoline?
The canonical SMILES for 2-pyridin-4-yl-1,4-dihydroquinazoline is c1ccc2c(c1)CN=C(c1ccncc1)N2.
What is the InChIKey of 2-pyridin-4-yl-1,4-dihydroquinazoline?
The InChIKey is RYMPFEYVHMSOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-4-12-11(3-1)9-15-13(16-12)10-5-7-14-8-6-10/h1-8H,9H2,(H,15,16).
What are the key properties of 2-pyridin-4-yl-1,4-dihydroquinazoline?
2-pyridin-4-yl-1,4-dihydroquinazoline has a molecular weight of 209.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1,4-dihydroquinazoline is sourced from PubChem (CID 90785207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).