2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline

C17H16N4 — CID 659763

IUPAC2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
SMILESc1ccc2c(N3CCCC3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C17H16N4/c1-2-6-15-14(5-1)17(21-11-3-4-12-21)20-16(19-15)13-7-9-18-10-8-13/h1-2,5-10H,3-4,11-12H2
InChIKeyQKLVRDVIYGQGBC-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.29
Rot. Bonds2

About 2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline

2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline (PubChem CID 659763) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
PubChem CID659763
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
SMILESc1ccc2c(N3CCCC3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C17H16N4/c1-2-6-15-14(5-1)17(21-11-3-4-12-21)20-16(19-15)13-7-9-18-10-8-13/h1-2,5-10H,3-4,11-12H2
InChIKeyQKLVRDVIYGQGBC-UHFFFAOYSA-N
XLogP3.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline (CID 659763) is 2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline is c1ccc2c(N3CCCC3)nc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline?
The InChIKey is QKLVRDVIYGQGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-6-15-14(5-1)17(21-11-3-4-12-21)20-16(19-15)13-7-9-18-10-8-13/h1-2,5-10H,3-4,11-12H2.
What are the key properties of 2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline?
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline has a molecular weight of 276.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 659763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).