4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide

C26H24N4O3 — CID 39777242

IUPAC4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C26H24N4O3/c1-16(2)24(31)28-19-10-12-20(13-11-19)29-25(32)18-8-14-21(15-9-18)30-17(3)27-23-7-5-4-6-22(23)26(30)33/h4-16H,1-3H3,(H,28,31)(H,29,32)
InChIKeyVZVYFYKDQADMRZ-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.54
Rot. Bonds5

About 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide

4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 39777242) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID39777242
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C26H24N4O3/c1-16(2)24(31)28-19-10-12-20(13-11-19)29-25(32)18-8-14-21(15-9-18)30-17(3)27-23-7-5-4-6-22(23)26(30)33/h4-16H,1-3H3,(H,28,31)(H,29,32)
InChIKeyVZVYFYKDQADMRZ-UHFFFAOYSA-N
XLogP4.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624561
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
4-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606476

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 39777242) is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is VZVYFYKDQADMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-16(2)24(31)28-19-10-12-20(13-11-19)29-25(32)18-8-14-21(15-9-18)30-17(3)27-23-7-5-4-6-22(23)26(30)33/h4-16H,1-3H3,(H,28,31)(H,29,32).
What are the key properties of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 440.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 39777242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).