N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide

C24H28BrN5O2 — CID 42714297

IUPACN-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide
SMILESCCCn1c(C(C)N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C24H28BrN5O2/c1-3-12-30-22(27-21-7-5-4-6-20(21)23(30)31)17(2)28-13-15-29(16-14-28)24(32)26-19-10-8-18(25)9-11-19/h4-11,17H,3,12-16H2,1-2H3,(H,26,32)
InChIKeyLGCNWERJIDMUIR-UHFFFAOYSA-N
MW498.43 g/mol
LogP4.48
Rot. Bonds5

About N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide

N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 42714297) has the molecular formula C24H28BrN5O2 and a molecular weight of 498.43 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID42714297
Molecular FormulaC24H28BrN5O2
Molecular Weight498.43 g/mol
Exact Mass497.14
IUPAC NameN-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide
SMILESCCCn1c(C(C)N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C24H28BrN5O2/c1-3-12-30-22(27-21-7-5-4-6-20(21)23(30)31)17(2)28-13-15-29(16-14-28)24(32)26-19-10-8-18(25)9-11-19/h4-11,17H,3,12-16H2,1-2H3,(H,26,32)
InChIKeyLGCNWERJIDMUIR-UHFFFAOYSA-N
XLogP4.48
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 42714334
methyl 3-[2-[1-[4-[(4-bromophenyl)carbamoyl]-3-methylpiperazin-1-yl]ethyl]-4-oxoquinazolin-3-yl]propanoate
CID 42725675
4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide
CID 42714842
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42719605
4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 42714240
3-(4-bromophenyl)-2-[1-(4-hexanoylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 42716002
N-(2-bromophenyl)-4-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]piperazine-1-carboxamide
CID 3550129
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
CID 6941068
N-(2,4-dichlorophenyl)-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714391
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756
2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715229
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
CID 42717155

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide (CID 42714297) is N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide is CCCn1c(C(C)N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)nc2ccccc2c1=O.
What is the InChIKey of N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is LGCNWERJIDMUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN5O2/c1-3-12-30-22(27-21-7-5-4-6-20(21)23(30)31)17(2)28-13-15-29(16-14-28)24(32)26-19-10-8-18(25)9-11-19/h4-11,17H,3,12-16H2,1-2H3,(H,26,32).
What are the key properties of N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide?
N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 498.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 42714297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).