2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide

C24H18Cl2N4O3 — CID 135625981

IUPAC2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)/C(=N\c1cc(Cl)c(O)c(Cl)c1)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C24H18Cl2N4O3/c1-13-7-3-5-9-18(13)29-23(32)20(27-14-11-16(25)21(31)17(26)12-14)22-28-19-10-6-4-8-15(19)24(33)30(22)2/h3-12,31H,1-2H3,(H,29,32)/b27-20-
InChIKeyFAVCRESWMPFGEJ-OOAXWGSJSA-N
MW481.34 g/mol
LogP5.01
Rot. Bonds4

About 2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide

2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide (PubChem CID 135625981) has the molecular formula C24H18Cl2N4O3 and a molecular weight of 481.34 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide
PubChem CID135625981
Molecular FormulaC24H18Cl2N4O3
Molecular Weight481.34 g/mol
Exact Mass480.08
IUPAC Name2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)/C(=N\c1cc(Cl)c(O)c(Cl)c1)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C24H18Cl2N4O3/c1-13-7-3-5-9-18(13)29-23(32)20(27-14-11-16(25)21(31)17(26)12-14)22-28-19-10-6-4-8-15(19)24(33)30(22)2/h3-12,31H,1-2H3,(H,29,32)/b27-20-
InChIKeyFAVCRESWMPFGEJ-OOAXWGSJSA-N
XLogP5.01
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.34
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide (CID 135625981) is 2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)/C(=N\c1cc(Cl)c(O)c(Cl)c1)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is FAVCRESWMPFGEJ-OOAXWGSJSA-N. The full InChI is InChI=1S/C24H18Cl2N4O3/c1-13-7-3-5-9-18(13)29-23(32)20(27-14-11-16(25)21(31)17(26)12-14)22-28-19-10-6-4-8-15(19)24(33)30(22)2/h3-12,31H,1-2H3,(H,29,32)/b27-20-.
What are the key properties of 2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide?
2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 481.34 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-hydroxyphenyl)imino-2-(3-methyl-4-oxoquinazolin-2-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 135625981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).