1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea

C24H27N5O3 — CID 162429472

IUPAC1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc3ncn(CCN4CCCCC4)c(=O)c3c2)c1
InChIInChI=1S/C24H27N5O3/c1-17(30)18-6-5-7-19(14-18)26-24(32)27-20-8-9-22-21(15-20)23(31)29(16-25-22)13-12-28-10-3-2-4-11-28/h5-9,14-16H,2-4,10-13H2,1H3,(H2,26,27,32)
InChIKeyLVJLDCLQRIYGRB-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.73
Rot. Bonds6

About 1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea

1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea (PubChem CID 162429472) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea
PubChem CID162429472
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc3ncn(CCN4CCCCC4)c(=O)c3c2)c1
InChIInChI=1S/C24H27N5O3/c1-17(30)18-6-5-7-19(14-18)26-24(32)27-20-8-9-22-21(15-20)23(31)29(16-25-22)13-12-28-10-3-2-4-11-28/h5-9,14-16H,2-4,10-13H2,1H3,(H2,26,27,32)
InChIKeyLVJLDCLQRIYGRB-UHFFFAOYSA-N
XLogP3.73
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea (CID 162429472) is 1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea is CC(=O)c1cccc(NC(=O)Nc2ccc3ncn(CCN4CCCCC4)c(=O)c3c2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea?
The InChIKey is LVJLDCLQRIYGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17(30)18-6-5-7-19(14-18)26-24(32)27-20-8-9-22-21(15-20)23(31)29(16-25-22)13-12-28-10-3-2-4-11-28/h5-9,14-16H,2-4,10-13H2,1H3,(H2,26,27,32).
What are the key properties of 1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea?
1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea has a molecular weight of 433.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[4-oxo-3-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea is sourced from PubChem (CID 162429472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).