N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide

C23H26N4O3 — CID 39723808

IUPACN,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C23H26N4O3/c1-4-26(5-2)22(29)17-9-11-18(12-10-17)25-20(28)13-14-27-15-24-21-16(3)7-6-8-19(21)23(27)30/h6-12,15H,4-5,13-14H2,1-3H3,(H,25,28)
InChIKeyYMWPMGNQIAEISS-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.22
Rot. Bonds7

About N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide

N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide (PubChem CID 39723808) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
PubChem CID39723808
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C23H26N4O3/c1-4-26(5-2)22(29)17-9-11-18(12-10-17)25-20(28)13-14-27-15-24-21-16(3)7-6-8-19(21)23(27)30/h6-12,15H,4-5,13-14H2,1-3H3,(H,25,28)
InChIKeyYMWPMGNQIAEISS-UHFFFAOYSA-N
XLogP3.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
S-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56529448
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 52663067
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 25496285
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34717885
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide
CID 55811016
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 32576569
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide?
The IUPAC name of N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide (CID 39723808) is N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide?
The canonical SMILES for N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)cc1.
What is the InChIKey of N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide?
The InChIKey is YMWPMGNQIAEISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-4-26(5-2)22(29)17-9-11-18(12-10-17)25-20(28)13-14-27-15-24-21-16(3)7-6-8-19(21)23(27)30/h6-12,15H,4-5,13-14H2,1-3H3,(H,25,28).
What are the key properties of N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide?
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 39723808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).