3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one

C25H21ClN4O3 — CID 22240489

IUPAC3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one
SMILESCOc1ccc2nc(-c3ccc(N4CCCCC4=O)cc3)n(-c3ccc(Cl)cn3)c(=O)c2c1
InChIInChI=1S/C25H21ClN4O3/c1-33-19-10-11-21-20(14-19)25(32)30(22-12-7-17(26)15-27-22)24(28-21)16-5-8-18(9-6-16)29-13-3-2-4-23(29)31/h5-12,14-15H,2-4,13H2,1H3
InChIKeyKOZFSPHUBVNCSZ-UHFFFAOYSA-N
MW460.92 g/mol
LogP4.63
Rot. Bonds4

About 3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one

3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one (PubChem CID 22240489) has the molecular formula C25H21ClN4O3 and a molecular weight of 460.92 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one
PubChem CID22240489
Molecular FormulaC25H21ClN4O3
Molecular Weight460.92 g/mol
Exact Mass460.13
IUPAC Name3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one
SMILESCOc1ccc2nc(-c3ccc(N4CCCCC4=O)cc3)n(-c3ccc(Cl)cn3)c(=O)c2c1
InChIInChI=1S/C25H21ClN4O3/c1-33-19-10-11-21-20(14-19)25(32)30(22-12-7-17(26)15-27-22)24(28-21)16-5-8-18(9-6-16)29-13-3-2-4-23(29)31/h5-12,14-15H,2-4,13H2,1H3
InChIKeyKOZFSPHUBVNCSZ-UHFFFAOYSA-N
XLogP4.63
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one (CID 22240489) is 3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one is COc1ccc2nc(-c3ccc(N4CCCCC4=O)cc3)n(-c3ccc(Cl)cn3)c(=O)c2c1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one?
The InChIKey is KOZFSPHUBVNCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3/c1-33-19-10-11-21-20(14-19)25(32)30(22-12-7-17(26)15-27-22)24(28-21)16-5-8-18(9-6-16)29-13-3-2-4-23(29)31/h5-12,14-15H,2-4,13H2,1H3.
What are the key properties of 3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one?
3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one has a molecular weight of 460.92 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one is sourced from PubChem (CID 22240489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).