N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide

C22H23BrN4O2 — CID 50834483

IUPACN-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
SMILESCC1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(Br)cc3)c3ccccc23)C1
InChIInChI=1S/C22H23BrN4O2/c1-15-5-4-12-26(13-15)21-18-6-2-3-7-19(18)27(22(29)25-21)14-20(28)24-17-10-8-16(23)9-11-17/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,28)
InChIKeyDNSNDAHDAWGRAY-UHFFFAOYSA-N
MW455.36 g/mol
LogP4.03
Rot. Bonds4

About N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide

N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide (PubChem CID 50834483) has the molecular formula C22H23BrN4O2 and a molecular weight of 455.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
PubChem CID50834483
Molecular FormulaC22H23BrN4O2
Molecular Weight455.36 g/mol
Exact Mass454.10
IUPAC NameN-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
SMILESCC1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(Br)cc3)c3ccccc23)C1
InChIInChI=1S/C22H23BrN4O2/c1-15-5-4-12-26(13-15)21-18-6-2-3-7-19(18)27(22(29)25-21)14-20(28)24-17-10-8-16(23)9-11-17/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,28)
InChIKeyDNSNDAHDAWGRAY-UHFFFAOYSA-N
XLogP4.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896918
ethyl 4-[[2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetyl]amino]benzoate
CID 92896926
2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 50834473
N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896946
N-(2,4-dimethoxyphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896934
N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
CID 50834634
N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129631
N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129653
N-(4-acetylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685620
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 50834654
N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide
CID 53129457
2-[4-[(3R)-3-methylpiperidin-1-yl]-1-oxophthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51661363

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide (CID 50834483) is N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide is CC1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(Br)cc3)c3ccccc23)C1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is DNSNDAHDAWGRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O2/c1-15-5-4-12-26(13-15)21-18-6-2-3-7-19(18)27(22(29)25-21)14-20(28)24-17-10-8-16(23)9-11-17/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,28).
What are the key properties of N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 455.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 50834483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).