4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide

C25H30ClN5O2 — CID 42714240

IUPAC4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(C(C)c3nc4ccc(Cl)cc4c(=O)n3CC)CC2)cc1
InChIInChI=1S/C25H30ClN5O2/c1-4-18-6-9-20(10-7-18)27-25(33)30-14-12-29(13-15-30)17(3)23-28-22-11-8-19(26)16-21(22)24(32)31(23)5-2/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,27,33)
InChIKeyFEWQHYAMOBTAIT-UHFFFAOYSA-N
MW468.00 g/mol
LogP4.54
Rot. Bonds5

About 4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide

4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide (PubChem CID 42714240) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
PubChem CID42714240
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC Name4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(C(C)c3nc4ccc(Cl)cc4c(=O)n3CC)CC2)cc1
InChIInChI=1S/C25H30ClN5O2/c1-4-18-6-9-20(10-7-18)27-25(33)30-14-12-29(13-15-30)17(3)23-28-22-11-8-19(26)16-21(22)24(32)31(23)5-2/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,27,33)
InChIKeyFEWQHYAMOBTAIT-UHFFFAOYSA-N
XLogP4.54
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 59993528
N-(3-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714872
N-butyl-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714867
N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714297
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
CID 42717155
N-(2-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714871
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 50828271
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42719605
N-(2,4-dichlorophenyl)-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714391
2-[(1S)-1-(butylamino)ethyl]-6-chloro-3-ethylquinazolin-4-one
CID 7301688
6-chloro-3-ethyl-2-[1-[3-methyl-4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42714861
4-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42715213

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide (CID 42714240) is 4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(C(C)c3nc4ccc(Cl)cc4c(=O)n3CC)CC2)cc1.
What is the InChIKey of 4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is FEWQHYAMOBTAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-4-18-6-9-20(10-7-18)27-25(33)30-14-12-29(13-15-30)17(3)23-28-22-11-8-19(26)16-21(22)24(32)31(23)5-2/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,27,33).
What are the key properties of 4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide?
4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 468.00 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 42714240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).