2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide

C22H22BrClN4O2 — CID 55706621

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H22BrClN4O2/c23-16-3-6-20-19(11-16)22(30)28(14-25-20)13-21(29)26-18-7-9-27(10-8-18)12-15-1-4-17(24)5-2-15/h1-6,11,14,18H,7-10,12-13H2,(H,26,29)
InChIKeyIORDOGGOTYJPAX-UHFFFAOYSA-N
MW489.80 g/mol
LogP3.59
Rot. Bonds5

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 55706621) has the molecular formula C22H22BrClN4O2 and a molecular weight of 489.80 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID55706621
Molecular FormulaC22H22BrClN4O2
Molecular Weight489.80 g/mol
Exact Mass488.06
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H22BrClN4O2/c23-16-3-6-20-19(11-16)22(30)28(14-25-20)13-21(29)26-18-7-9-27(10-8-18)12-15-1-4-17(24)5-2-15/h1-6,11,14,18H,7-10,12-13H2,(H,26,29)
InChIKeyIORDOGGOTYJPAX-UHFFFAOYSA-N
XLogP3.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597912
N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 119610209
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119561032
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55718407
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 25392161

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide (CID 55706621) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is IORDOGGOTYJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrClN4O2/c23-16-3-6-20-19(11-16)22(30)28(14-25-20)13-21(29)26-18-7-9-27(10-8-18)12-15-1-4-17(24)5-2-15/h1-6,11,14,18H,7-10,12-13H2,(H,26,29).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 489.80 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55706621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).