N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C28H28N4O3 — CID 52663067

IUPACN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)cc1)c1ccccc1
InChIInChI=1S/C28H28N4O3/c1-3-32(23-9-5-4-6-10-23)26(34)18-21-12-14-22(15-13-21)30-25(33)16-17-31-19-29-27-20(2)8-7-11-24(27)28(31)35/h4-15,19H,3,16-18H2,1-2H3,(H,30,33)
InChIKeyAXYVOCJKCDPENI-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.33
Rot. Bonds8

About N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 52663067) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID52663067
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)cc1)c1ccccc1
InChIInChI=1S/C28H28N4O3/c1-3-32(23-9-5-4-6-10-23)26(34)18-21-12-14-22(15-13-21)30-25(33)16-17-31-19-29-27-20(2)8-7-11-24(27)28(31)35/h4-15,19H,3,16-18H2,1-2H3,(H,30,33)
InChIKeyAXYVOCJKCDPENI-UHFFFAOYSA-N
XLogP4.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
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-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24535110
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 25496285
N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
CID 46550537
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 55891024
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34717885

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 52663067) is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is CCN(C(=O)Cc1ccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is AXYVOCJKCDPENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-3-32(23-9-5-4-6-10-23)26(34)18-21-12-14-22(15-13-21)30-25(33)16-17-31-19-29-27-20(2)8-7-11-24(27)28(31)35/h4-15,19H,3,16-18H2,1-2H3,(H,30,33).
What are the key properties of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 468.56 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 52663067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).