(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate

C20H19N3O4 — CID 33486113

IUPAC(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCc1cccc2c(=O)n(CCC(=O)OCC(=O)Nc3ccccc3)cnc12
InChIInChI=1S/C20H19N3O4/c1-14-6-5-9-16-19(14)21-13-23(20(16)26)11-10-18(25)27-12-17(24)22-15-7-3-2-4-8-15/h2-9,13H,10-12H2,1H3,(H,22,24)
InChIKeyCOUXETYZRHTNQL-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.28
Rot. Bonds6

About (2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate

(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate (PubChem CID 33486113) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
PubChem CID33486113
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCc1cccc2c(=O)n(CCC(=O)OCC(=O)Nc3ccccc3)cnc12
InChIInChI=1S/C20H19N3O4/c1-14-6-5-9-16-19(14)21-13-23(20(16)26)11-10-18(25)27-12-17(24)22-15-7-3-2-4-8-15/h2-9,13H,10-12H2,1H3,(H,22,24)
InChIKeyCOUXETYZRHTNQL-UHFFFAOYSA-N
XLogP2.28
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486051
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486199
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 43049163
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33357986
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 25496285
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
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
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
(6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 34106710

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate (CID 33486113) is (2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate is Cc1cccc2c(=O)n(CCC(=O)OCC(=O)Nc3ccccc3)cnc12.
What is the InChIKey of (2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The InChIKey is COUXETYZRHTNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-14-6-5-9-16-19(14)21-13-23(20(16)26)11-10-18(25)27-12-17(24)22-15-7-3-2-4-8-15/h2-9,13H,10-12H2,1H3,(H,22,24).
What are the key properties of (2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate has a molecular weight of 365.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 33486113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).