N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide

C20H20N4O3 — CID 644907

IUPACN-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2nc(C)n(CC(=O)Nc3ccccc3)c(=O)c2c1
InChIInChI=1S/C20H20N4O3/c1-3-18(25)23-15-9-10-17-16(11-15)20(27)24(13(2)21-17)12-19(26)22-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyRDYJAMAFSMVSCM-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.69
Rot. Bonds5

About N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide

N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide (PubChem CID 644907) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
PubChem CID644907
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2nc(C)n(CC(=O)Nc3ccccc3)c(=O)c2c1
InChIInChI=1S/C20H20N4O3/c1-3-18(25)23-15-9-10-17-16(11-15)20(27)24(13(2)21-17)12-19(26)22-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyRDYJAMAFSMVSCM-UHFFFAOYSA-N
XLogP2.69
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide (CID 644907) is N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide is CCC(=O)Nc1ccc2nc(C)n(CC(=O)Nc3ccccc3)c(=O)c2c1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide?
The InChIKey is RDYJAMAFSMVSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-18(25)23-15-9-10-17-16(11-15)20(27)24(13(2)21-17)12-19(26)22-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide?
N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide has a molecular weight of 364.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide is sourced from PubChem (CID 644907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).