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

C25H31N5O2 — CID 42714702

IUPAC4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)Nc2ccccc2)C(C)C1
InChIInChI=1S/C25H31N5O2/c1-4-22(23-27-21-14-10-9-13-20(21)24(31)29(23)5-2)28-15-16-30(18(3)17-28)25(32)26-19-11-7-6-8-12-19/h6-14,18,22H,4-5,15-17H2,1-3H3,(H,26,32)
InChIKeyVRWIZFNMQBHLAK-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.11
Rot. Bonds5

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

4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide (PubChem CID 42714702) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
PubChem CID42714702
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)Nc2ccccc2)C(C)C1
InChIInChI=1S/C25H31N5O2/c1-4-22(23-27-21-14-10-9-13-20(21)24(31)29(23)5-2)28-15-16-30(18(3)17-28)25(32)26-19-11-7-6-8-12-19/h6-14,18,22H,4-5,15-17H2,1-3H3,(H,26,32)
InChIKeyVRWIZFNMQBHLAK-UHFFFAOYSA-N
XLogP4.11
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714703
N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714708
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 42714950
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]propyl]quinazolin-4-one
CID 42714917
2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 42714630
4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide
CID 42714842
methyl 3-[2-[1-[4-[(4-bromophenyl)carbamoyl]-3-methylpiperazin-1-yl]ethyl]-4-oxoquinazolin-3-yl]propanoate
CID 42725675
N-(3-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714872
N-(2-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714871
3-methyl-2-[1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714658
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
N-(3-methoxyphenyl)-2-methyl-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714681

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide (CID 42714702) is 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide is CCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)Nc2ccccc2)C(C)C1.
What is the InChIKey of 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is VRWIZFNMQBHLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-4-22(23-27-21-14-10-9-13-20(21)24(31)29(23)5-2)28-15-16-30(18(3)17-28)25(32)26-19-11-7-6-8-12-19/h6-14,18,22H,4-5,15-17H2,1-3H3,(H,26,32).
What are the key properties of 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide?
4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 42714702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).