7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione

C28H28N4O4 — CID 3240438

IUPAC7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(Cc5ccccc5)CC4)ccc3c2=O)cc1
InChIInChI=1S/C28H28N4O4/c1-36-23-10-7-21(8-11-23)19-32-27(34)24-12-9-22(17-25(24)29-28(32)35)26(33)31-15-13-30(14-16-31)18-20-5-3-2-4-6-20/h2-12,17H,13-16,18-19H2,1H3,(H,29,35)
InChIKeyPPVAGLFPZLHOLV-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.70
Rot. Bonds6

About 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione

7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione (PubChem CID 3240438) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
PubChem CID3240438
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(Cc5ccccc5)CC4)ccc3c2=O)cc1
InChIInChI=1S/C28H28N4O4/c1-36-23-10-7-21(8-11-23)19-32-27(34)24-12-9-22(17-25(24)29-28(32)35)26(33)31-15-13-30(14-16-31)18-20-5-3-2-4-6-20/h2-12,17H,13-16,18-19H2,1H3,(H,29,35)
InChIKeyPPVAGLFPZLHOLV-UHFFFAOYSA-N
XLogP2.70
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

7-(4-benzylpiperazine-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27671511
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
N-butyl-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15988112
3-(2-methoxyethyl)-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
CID 15988106
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17366074
3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione
CID 167990896
N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15995150
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580394
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
7-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 24548099

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione (CID 3240438) is 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione is COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(Cc5ccccc5)CC4)ccc3c2=O)cc1.
What is the InChIKey of 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione?
The InChIKey is PPVAGLFPZLHOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-36-23-10-7-21(8-11-23)19-32-27(34)24-12-9-22(17-25(24)29-28(32)35)26(33)31-15-13-30(14-16-31)18-20-5-3-2-4-6-20/h2-12,17H,13-16,18-19H2,1H3,(H,29,35).
What are the key properties of 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione?
7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione has a molecular weight of 484.56 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 3240438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).