N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide

C21H22N4O4 — CID 15994104

IUPACN-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H22N4O4/c1-14-7-8-18(29-2)17(11-14)24-19(26)9-10-22-20(27)12-25-13-23-16-6-4-3-5-15(16)21(25)28/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyPGIUVVHDGPGXJQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.86
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide

N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (PubChem CID 15994104) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
PubChem CID15994104
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H22N4O4/c1-14-7-8-18(29-2)17(11-14)24-19(26)9-10-22-20(27)12-25-13-23-16-6-4-3-5-15(16)21(25)28/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyPGIUVVHDGPGXJQ-UHFFFAOYSA-N
XLogP1.86
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (CID 15994104) is N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is COc1ccc(C)cc1NC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The InChIKey is PGIUVVHDGPGXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-7-8-18(29-2)17(11-14)24-19(26)9-10-22-20(27)12-25-13-23-16-6-4-3-5-15(16)21(25)28/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide has a molecular weight of 394.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 15994104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).