4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide

C21H20Cl3N5O — CID 24720201

IUPAC4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
SMILESCCc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)c2ccc(Cl)cc2n1
InChIInChI=1S/C21H20Cl3N5O/c1-2-19-25-18-12-14(23)3-5-15(18)20(27-19)28-7-9-29(10-8-28)21(30)26-17-6-4-13(22)11-16(17)24/h3-6,11-12H,2,7-10H2,1H3,(H,26,30)
InChIKeyUIKZOAWVLBSAEB-UHFFFAOYSA-N
MW464.78 g/mol
LogP5.51
Rot. Bonds3

About 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide

4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 24720201) has the molecular formula C21H20Cl3N5O and a molecular weight of 464.78 g/mol. Its IUPAC name is 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID24720201
Molecular FormulaC21H20Cl3N5O
Molecular Weight464.78 g/mol
Exact Mass463.07
IUPAC Name4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
SMILESCCc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)c2ccc(Cl)cc2n1
InChIInChI=1S/C21H20Cl3N5O/c1-2-19-25-18-12-14(23)3-5-15(18)20(27-19)28-7-9-29(10-8-28)21(30)26-17-6-4-13(22)11-16(17)24/h3-6,11-12H,2,7-10H2,1H3,(H,26,30)
InChIKeyUIKZOAWVLBSAEB-UHFFFAOYSA-N
XLogP5.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

[4-(7-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 42809335
4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2,4-dichlorophenyl)-1,4-diazepane-1-carboxamide
CID 1027747
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113752
4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 83282802
N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 113114419
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
CID 87013030
4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 24720213
1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123416
4-acetyl-N-(4-chloro-2-ethylphenyl)-1,4-diazepane-1-carboxamide
CID 74240888
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide (CID 24720201) is 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide is CCc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)c2ccc(Cl)cc2n1.
What is the InChIKey of 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is UIKZOAWVLBSAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N5O/c1-2-19-25-18-12-14(23)3-5-15(18)20(27-19)28-7-9-29(10-8-28)21(30)26-17-6-4-13(22)11-16(17)24/h3-6,11-12H,2,7-10H2,1H3,(H,26,30).
What are the key properties of 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide?
4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 464.78 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 24720201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).