3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide

C26H19Cl2N5O3 — CID 163301104

IUPAC3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide
SMILESCn1ccc(-c2ccccc2Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)n1
InChIInChI=1S/C26H19Cl2N5O3/c1-32-10-9-20(31-32)17-6-3-2-5-15(17)13-33-14-29-21-7-4-8-22(23(21)26(33)36)30-25(35)16-11-18(27)24(34)19(28)12-16/h2-12,14,34H,13H2,1H3,(H,30,35)
InChIKeyLVPDPVMPVHYWRK-UHFFFAOYSA-N
MW520.38 g/mol
LogP5.11
Rot. Bonds5

About 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide

3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide (PubChem CID 163301104) has the molecular formula C26H19Cl2N5O3 and a molecular weight of 520.38 g/mol. Its IUPAC name is 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide
PubChem CID163301104
Molecular FormulaC26H19Cl2N5O3
Molecular Weight520.38 g/mol
Exact Mass519.09
IUPAC Name3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide
SMILESCn1ccc(-c2ccccc2Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)n1
InChIInChI=1S/C26H19Cl2N5O3/c1-32-10-9-20(31-32)17-6-3-2-5-15(17)13-33-14-29-21-7-4-8-22(23(21)26(33)36)30-25(35)16-11-18(27)24(34)19(28)12-16/h2-12,14,34H,13H2,1H3,(H,30,35)
InChIKeyLVPDPVMPVHYWRK-UHFFFAOYSA-N
XLogP5.11
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.38
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide?
The IUPAC name of 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide (CID 163301104) is 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide?
The canonical SMILES for 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide is Cn1ccc(-c2ccccc2Cn2cnc3cccc(NC(=O)c4cc(Cl)c(O)c(Cl)c4)c3c2=O)n1.
What is the InChIKey of 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide?
The InChIKey is LVPDPVMPVHYWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N5O3/c1-32-10-9-20(31-32)17-6-3-2-5-15(17)13-33-14-29-21-7-4-8-22(23(21)26(33)36)30-25(35)16-11-18(27)24(34)19(28)12-16/h2-12,14,34H,13H2,1H3,(H,30,35).
What are the key properties of 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide?
3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide has a molecular weight of 520.38 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hydroxy-N-[3-[[2-(1-methylpyrazol-3-yl)phenyl]methyl]-4-oxoquinazolin-5-yl]benzamide is sourced from PubChem (CID 163301104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).