N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide

C23H26N4O3 — CID 15991126

IUPACN-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1
InChIInChI=1S/C23H26N4O3/c1-3-13-27(18-8-6-7-17(2)14-18)22(29)11-12-24-21(28)15-26-16-25-20-10-5-4-9-19(20)23(26)30/h4-10,14,16H,3,11-13,15H2,1-2H3,(H,24,28)
InChIKeySGPGRWNTLHXOLD-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.65
Rot. Bonds8

About N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide

N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide (PubChem CID 15991126) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide
PubChem CID15991126
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1
InChIInChI=1S/C23H26N4O3/c1-3-13-27(18-8-6-7-17(2)14-18)22(29)11-12-24-21(28)15-26-16-25-20-10-5-4-9-19(20)23(26)30/h4-10,14,16H,3,11-13,15H2,1-2H3,(H,24,28)
InChIKeySGPGRWNTLHXOLD-UHFFFAOYSA-N
XLogP2.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide (CID 15991126) is N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide is CCCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide?
The InChIKey is SGPGRWNTLHXOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-13-27(18-8-6-7-17(2)14-18)22(29)11-12-24-21(28)15-26-16-25-20-10-5-4-9-19(20)23(26)30/h4-10,14,16H,3,11-13,15H2,1-2H3,(H,24,28).
What are the key properties of N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide?
N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide has a molecular weight of 406.49 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 15991126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).