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

C23H26N4O5 — CID 15991124

IUPACN-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cc(OC)ccc1OC
InChIInChI=1S/C23H26N4O5/c1-4-27(19-13-16(31-2)9-10-20(19)32-3)22(29)11-12-24-21(28)14-26-15-25-18-8-6-5-7-17(18)23(26)30/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,24,28)
InChIKeyOITDWWDDHFKAHM-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.97
Rot. Bonds9

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

N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (PubChem CID 15991124) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
PubChem CID15991124
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cc(OC)ccc1OC
InChIInChI=1S/C23H26N4O5/c1-4-27(19-13-16(31-2)9-10-20(19)32-3)22(29)11-12-24-21(28)14-26-15-25-18-8-6-5-7-17(18)23(26)30/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,24,28)
InChIKeyOITDWWDDHFKAHM-UHFFFAOYSA-N
XLogP1.97
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (CID 15991124) is N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is CCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The InChIKey is OITDWWDDHFKAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-4-27(19-13-16(31-2)9-10-20(19)32-3)22(29)11-12-24-21(28)14-26-15-25-18-8-6-5-7-17(18)23(26)30/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,24,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide has a molecular weight of 438.48 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 15991124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).