4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide

C23H27N5O2 — CID 42714842

IUPAC4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H27N5O2/c1-3-20(21-25-19-12-8-7-11-18(19)22(29)26(21)2)27-13-15-28(16-14-27)23(30)24-17-9-5-4-6-10-17/h4-12,20H,3,13-16H2,1-2H3,(H,24,30)
InChIKeyWLUNYBIVMDPAHZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.23
Rot. Bonds4

About 4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide

4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 42714842) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide
PubChem CID42714842
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H27N5O2/c1-3-20(21-25-19-12-8-7-11-18(19)22(29)26(21)2)27-13-15-28(16-14-27)23(30)24-17-9-5-4-6-10-17/h4-12,20H,3,13-16H2,1-2H3,(H,24,30)
InChIKeyWLUNYBIVMDPAHZ-UHFFFAOYSA-N
XLogP3.23
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42657432
N-(4-bromophenyl)-4-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714297
4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42714702
2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715229
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
N-(2,4-dichlorophenyl)-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714391
4-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 42714334
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714780
3-methyl-2-[1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714658
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 59993528
3-(2-methoxyethyl)-2-[1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 42715002

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide (CID 42714842) is 4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide is CCC(c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is WLUNYBIVMDPAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-20(21-25-19-12-8-7-11-18(19)22(29)26(21)2)27-13-15-28(16-14-27)23(30)24-17-9-5-4-6-10-17/h4-12,20H,3,13-16H2,1-2H3,(H,24,30).
What are the key properties of 4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide?
4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 42714842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).