2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one

C22H25N3O3 — CID 168552184

IUPAC2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCCN1CCCCC1
InChIInChI=1S/C22H25N3O3/c1-27-20-15-16(21-23-18-8-4-3-7-17(18)22(26)24-21)9-10-19(20)28-14-13-25-11-5-2-6-12-25/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,24,26)
InChIKeyYNZYXZFEVVGZPO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.46
Rot. Bonds6

About 2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one

2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 168552184) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
PubChem CID168552184
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCCN1CCCCC1
InChIInChI=1S/C22H25N3O3/c1-27-20-15-16(21-23-18-8-4-3-7-17(18)22(26)24-21)9-10-19(20)28-14-13-25-11-5-2-6-12-25/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,24,26)
InChIKeyYNZYXZFEVVGZPO-UHFFFAOYSA-N
XLogP3.46
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one (CID 168552184) is 2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one is COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCCN1CCCCC1.
What is the InChIKey of 2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is YNZYXZFEVVGZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-20-15-16(21-23-18-8-4-3-7-17(18)22(26)24-21)9-10-19(20)28-14-13-25-11-5-2-6-12-25/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,24,26).
What are the key properties of 2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one?
2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 379.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).