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

C27H26N4O4 — CID 15988128

IUPAC3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccc5)CC4)ccc3c2=O)cc1
InChIInChI=1S/C27H26N4O4/c1-35-22-10-7-19(8-11-22)18-31-26(33)23-12-9-20(17-24(23)28-27(31)34)25(32)30-15-13-29(14-16-30)21-5-3-2-4-6-21/h2-12,17H,13-16,18H2,1H3,(H,28,34)
InChIKeyMFIUHVCQGLQIMT-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.71
Rot. Bonds5

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

3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione (PubChem CID 15988128) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
PubChem CID15988128
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccc5)CC4)ccc3c2=O)cc1
InChIInChI=1S/C27H26N4O4/c1-35-22-10-7-19(8-11-22)18-31-26(33)23-12-9-20(17-24(23)28-27(31)34)25(32)30-15-13-29(14-16-30)21-5-3-2-4-6-21/h2-12,17H,13-16,18H2,1H3,(H,28,34)
InChIKeyMFIUHVCQGLQIMT-UHFFFAOYSA-N
XLogP2.71
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione (CID 15988128) is 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione is COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccc5)CC4)ccc3c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
The InChIKey is MFIUHVCQGLQIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-35-22-10-7-19(8-11-22)18-31-26(33)23-12-9-20(17-24(23)28-27(31)34)25(32)30-15-13-29(14-16-30)21-5-3-2-4-6-21/h2-12,17H,13-16,18H2,1H3,(H,28,34).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione has a molecular weight of 470.53 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 15988128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).