3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one

C24H29N3O3 — CID 23631383

IUPAC3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one
SMILESCCN1CCCC(Cn2c(-c3ccccc3OC)nc3ccc(OC)cc3c2=O)C1
InChIInChI=1S/C24H29N3O3/c1-4-26-13-7-8-17(15-26)16-27-23(19-9-5-6-10-22(19)30-3)25-21-12-11-18(29-2)14-20(21)24(27)28/h5-6,9-12,14,17H,4,7-8,13,15-16H2,1-3H3
InChIKeyYFYZDRDBSOIHOR-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.81
Rot. Bonds6

About 3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one

3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 23631383) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one
PubChem CID23631383
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one
SMILESCCN1CCCC(Cn2c(-c3ccccc3OC)nc3ccc(OC)cc3c2=O)C1
InChIInChI=1S/C24H29N3O3/c1-4-26-13-7-8-17(15-26)16-27-23(19-9-5-6-10-22(19)30-3)25-21-12-11-18(29-2)14-20(21)24(27)28/h5-6,9-12,14,17H,4,7-8,13,15-16H2,1-3H3
InChIKeyYFYZDRDBSOIHOR-UHFFFAOYSA-N
XLogP3.81
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one (CID 23631383) is 3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one is CCN1CCCC(Cn2c(-c3ccccc3OC)nc3ccc(OC)cc3c2=O)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is YFYZDRDBSOIHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-26-13-7-8-17(15-26)16-27-23(19-9-5-6-10-22(19)30-3)25-21-12-11-18(29-2)14-20(21)24(27)28/h5-6,9-12,14,17H,4,7-8,13,15-16H2,1-3H3.
What are the key properties of 3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one?
3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 407.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 23631383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).