2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one

C23H26N4O3 — CID 59993534

IUPAC2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(C(=O)N2CCN(C(C)c3nc4ccccc4c(=O)n3C)CC2)cc1
InChIInChI=1S/C23H26N4O3/c1-16(21-24-20-7-5-4-6-19(20)23(29)25(21)2)26-12-14-27(15-13-26)22(28)17-8-10-18(30-3)11-9-17/h4-11,16H,12-15H2,1-3H3
InChIKeyYDTKXUIABVLOGT-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.46
Rot. Bonds4

About 2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one

2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one (PubChem CID 59993534) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
PubChem CID59993534
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(C(=O)N2CCN(C(C)c3nc4ccccc4c(=O)n3C)CC2)cc1
InChIInChI=1S/C23H26N4O3/c1-16(21-24-20-7-5-4-6-19(20)23(29)25(21)2)26-12-14-27(15-13-26)22(28)17-8-10-18(30-3)11-9-17/h4-11,16H,12-15H2,1-3H3
InChIKeyYDTKXUIABVLOGT-UHFFFAOYSA-N
XLogP2.46
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42657432
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
CID 42717155
3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one
CID 42717162
2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 42714371
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
4-[4-[1-(4-methoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2771200
7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 59993246
N-(2,4-dichlorophenyl)-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714391
N-(3-methoxyphenyl)-2-methyl-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714681
6-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 59993194
7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42715106
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429215

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one (CID 59993534) is 2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one is COc1ccc(C(=O)N2CCN(C(C)c3nc4ccccc4c(=O)n3C)CC2)cc1.
What is the InChIKey of 2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The InChIKey is YDTKXUIABVLOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16(21-24-20-7-5-4-6-19(20)23(29)25(21)2)26-12-14-27(15-13-26)22(28)17-8-10-18(30-3)11-9-17/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one has a molecular weight of 406.49 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 59993534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).