2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide

C29H30N4O4 — CID 169489488

IUPAC2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
SMILESCOc1ccc(C2CCN(CC(=O)Nn3c(COc4ccccc4)nc4ccccc4c3=O)CC2)cc1
InChIInChI=1S/C29H30N4O4/c1-36-23-13-11-21(12-14-23)22-15-17-32(18-16-22)19-28(34)31-33-27(20-37-24-7-3-2-4-8-24)30-26-10-6-5-9-25(26)29(33)35/h2-14,22H,15-20H2,1H3,(H,31,34)
InChIKeyJHOUYHKTSYXJML-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.93
Rot. Bonds8

About 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide

2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide (PubChem CID 169489488) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
PubChem CID169489488
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
SMILESCOc1ccc(C2CCN(CC(=O)Nn3c(COc4ccccc4)nc4ccccc4c3=O)CC2)cc1
InChIInChI=1S/C29H30N4O4/c1-36-23-13-11-21(12-14-23)22-15-17-32(18-16-22)19-28(34)31-33-27(20-37-24-7-3-2-4-8-24)30-26-10-6-5-9-25(26)29(33)35/h2-14,22H,15-20H2,1H3,(H,31,34)
InChIKeyJHOUYHKTSYXJML-UHFFFAOYSA-N
XLogP3.93
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide (CID 169489488) is 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide is COc1ccc(C2CCN(CC(=O)Nn3c(COc4ccccc4)nc4ccccc4c3=O)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide?
The InChIKey is JHOUYHKTSYXJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-36-23-13-11-21(12-14-23)22-15-17-32(18-16-22)19-28(34)31-33-27(20-37-24-7-3-2-4-8-24)30-26-10-6-5-9-25(26)29(33)35/h2-14,22H,15-20H2,1H3,(H,31,34).
What are the key properties of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide?
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide has a molecular weight of 498.58 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide is sourced from PubChem (CID 169489488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).