N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide

C22H23ClN4O2 — CID 53129631

IUPACN-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
SMILESCC1CCN(c2nc(=O)n(CC(=O)Nc3ccccc3Cl)c3ccccc23)CC1
InChIInChI=1S/C22H23ClN4O2/c1-15-10-12-26(13-11-15)21-16-6-2-5-9-19(16)27(22(29)25-21)14-20(28)24-18-8-4-3-7-17(18)23/h2-9,15H,10-14H2,1H3,(H,24,28)
InChIKeyBNWSFSSMJKDNDF-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.92
Rot. Bonds4

About N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide (PubChem CID 53129631) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
PubChem CID53129631
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
SMILESCC1CCN(c2nc(=O)n(CC(=O)Nc3ccccc3Cl)c3ccccc23)CC1
InChIInChI=1S/C22H23ClN4O2/c1-15-10-12-26(13-11-15)21-16-6-2-5-9-19(16)27(22(29)25-21)14-20(28)24-18-8-4-3-7-17(18)23/h2-9,15H,10-14H2,1H3,(H,24,28)
InChIKeyBNWSFSSMJKDNDF-UHFFFAOYSA-N
XLogP3.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide (CID 53129631) is N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide is CC1CCN(c2nc(=O)n(CC(=O)Nc3ccccc3Cl)c3ccccc23)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is BNWSFSSMJKDNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-15-10-12-26(13-11-15)21-16-6-2-5-9-19(16)27(22(29)25-21)14-20(28)24-18-8-4-3-7-17(18)23/h2-9,15H,10-14H2,1H3,(H,24,28).
What are the key properties of N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 410.91 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 53129631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).