4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one

C23H19N3O2 — CID 2526986

IUPAC4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one
SMILESCC(=O)CCc1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C23H19N3O2/c1-16(27)8-9-17-10-12-19(13-11-17)28-23-20-6-2-3-7-21(20)25-22(26-23)18-5-4-14-24-15-18/h2-7,10-15H,8-9H2,1H3
InChIKeyXTCDQIGWWVUUBR-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.01
Rot. Bonds6

About 4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one

4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one (PubChem CID 2526986) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one
PubChem CID2526986
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one
SMILESCC(=O)CCc1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C23H19N3O2/c1-16(27)8-9-17-10-12-19(13-11-17)28-23-20-6-2-3-7-21(20)25-22(26-23)18-5-4-14-24-15-18/h2-7,10-15H,8-9H2,1H3
InChIKeyXTCDQIGWWVUUBR-UHFFFAOYSA-N
XLogP5.01
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one?
The IUPAC name of 4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one (CID 2526986) is 4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one.
What is the SMILES notation for 4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one?
The canonical SMILES for 4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one is CC(=O)CCc1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one?
The InChIKey is XTCDQIGWWVUUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16(27)8-9-17-10-12-19(13-11-17)28-23-20-6-2-3-7-21(20)25-22(26-23)18-5-4-14-24-15-18/h2-7,10-15H,8-9H2,1H3.
What are the key properties of 4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one?
4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one has a molecular weight of 369.42 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]butan-2-one is sourced from PubChem (CID 2526986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).