[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C20H19N3O4 — CID 135399995

IUPAC[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCc1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H19N3O4/c1-13-6-2-4-8-15(13)22-18(24)12-27-19(25)11-10-17-21-16-9-5-3-7-14(16)20(26)23-17/h2-9H,10-12H2,1H3,(H,22,24)(H,21,23,26)
InChIKeyUDOUKIDJQGRULF-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.35
Rot. Bonds6

About [2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135399995) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135399995
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCc1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H19N3O4/c1-13-6-2-4-8-15(13)22-18(24)12-27-19(25)11-10-17-21-16-9-5-3-7-14(16)20(26)23-17/h2-9H,10-12H2,1H3,(H,22,24)(H,21,23,26)
InChIKeyUDOUKIDJQGRULF-UHFFFAOYSA-N
XLogP2.35
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135399995) is [2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is Cc1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is UDOUKIDJQGRULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-6-2-4-8-15(13)22-18(24)12-27-19(25)11-10-17-21-16-9-5-3-7-14(16)20(26)23-17/h2-9H,10-12H2,1H3,(H,22,24)(H,21,23,26).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 365.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135399995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).