N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide

C25H29Cl2N5O2 — CID 42714708

IUPACN-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C(C)C1
InChIInChI=1S/C25H29Cl2N5O2/c1-4-22(23-28-20-9-7-6-8-18(20)24(33)31(23)5-2)30-12-13-32(16(3)15-30)25(34)29-21-11-10-17(26)14-19(21)27/h6-11,14,16,22H,4-5,12-13,15H2,1-3H3,(H,29,34)
InChIKeyOGRFICQBWUNESK-UHFFFAOYSA-N
MW502.45 g/mol
LogP5.41
Rot. Bonds5

About N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide

N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide (PubChem CID 42714708) has the molecular formula C25H29Cl2N5O2 and a molecular weight of 502.45 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
PubChem CID42714708
Molecular FormulaC25H29Cl2N5O2
Molecular Weight502.45 g/mol
Exact Mass501.17
IUPAC NameN-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C(C)C1
InChIInChI=1S/C25H29Cl2N5O2/c1-4-22(23-28-20-9-7-6-8-18(20)24(33)31(23)5-2)30-12-13-32(16(3)15-30)25(34)29-21-11-10-17(26)14-19(21)27/h6-11,14,16,22H,4-5,12-13,15H2,1-3H3,(H,29,34)
InChIKeyOGRFICQBWUNESK-UHFFFAOYSA-N
XLogP5.41
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42714702
N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714703
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 42714950
N-(2-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714871
2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714771
N-(3-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714872
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]propyl]quinazolin-4-one
CID 42714917
4-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2,3-dichlorophenyl)-2-methylpiperazine-1-carboxamide
CID 42715631
2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 42714630
N-butyl-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714867
6-chloro-3-ethyl-2-[1-[3-methyl-4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42714861
2-[1-[4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42714662

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide (CID 42714708) is N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide is CCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C(C)C1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide?
The InChIKey is OGRFICQBWUNESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N5O2/c1-4-22(23-28-20-9-7-6-8-18(20)24(33)31(23)5-2)30-12-13-32(16(3)15-30)25(34)29-21-11-10-17(26)14-19(21)27/h6-11,14,16,22H,4-5,12-13,15H2,1-3H3,(H,29,34).
What are the key properties of N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide?
N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide has a molecular weight of 502.45 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 42714708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).