N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide

C21H22N4O5 — CID 11384313

IUPACN-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C21H22N4O5/c1-29-14-7-8-18(30-2)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)
InChIKeyRWVDNKBAIVNSLQ-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.56
Rot. Bonds8

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

N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (PubChem CID 11384313) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
PubChem CID11384313
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C21H22N4O5/c1-29-14-7-8-18(30-2)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)
InChIKeyRWVDNKBAIVNSLQ-UHFFFAOYSA-N
XLogP1.56
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (CID 11384313) is N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is COc1ccc(OC)c(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The InChIKey is RWVDNKBAIVNSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-29-14-7-8-18(30-2)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-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide has a molecular weight of 410.43 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 11384313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).