4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide

C31H35N5O3 — CID 42714950

IUPAC4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(C(=O)Nc2ccccc2OC)C(C)C1
InChIInChI=1S/C31H35N5O3/c1-4-27(34-18-19-35(22(2)20-34)31(38)33-26-16-10-11-17-28(26)39-3)29-32-25-15-9-8-14-24(25)30(37)36(29)21-23-12-6-5-7-13-23/h5-17,22,27H,4,18-21H2,1-3H3,(H,33,38)
InChIKeyJIRJIICLXNOQNL-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.14
Rot. Bonds7

About 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide

4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 42714950) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
PubChem CID42714950
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC Name4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(C(=O)Nc2ccccc2OC)C(C)C1
InChIInChI=1S/C31H35N5O3/c1-4-27(34-18-19-35(22(2)20-34)31(38)33-26-16-10-11-17-28(26)39-3)29-32-25-15-9-8-14-24(25)30(37)36(29)21-23-12-6-5-7-13-23/h5-17,22,27H,4,18-21H2,1-3H3,(H,33,38)
InChIKeyJIRJIICLXNOQNL-UHFFFAOYSA-N
XLogP5.14
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide with MolForge

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Related Compounds

4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42714702
N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714708
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]propyl]quinazolin-4-one
CID 42714917
N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714703
2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 42714630
3-benzyl-2-[1-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714912
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
N-(3-methoxyphenyl)-2-methyl-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714681
2-[1-[4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42714662
N-(2-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714871
3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one
CID 22058093
3-methyl-2-[1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714658

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide (CID 42714950) is 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide is CCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(C(=O)Nc2ccccc2OC)C(C)C1.
What is the InChIKey of 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is JIRJIICLXNOQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-4-27(34-18-19-35(22(2)20-34)31(38)33-26-16-10-11-17-28(26)39-3)29-32-25-15-9-8-14-24(25)30(37)36(29)21-23-12-6-5-7-13-23/h5-17,22,27H,4,18-21H2,1-3H3,(H,33,38).
What are the key properties of 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 525.65 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 42714950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).