ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate

C19H21N3O5 — CID 3422661

IUPACethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate
SMILESCCOC(=O)NN1C(=O)c2ccccc2NC1c1ccc(OC)cc1OC
InChIInChI=1S/C19H21N3O5/c1-4-27-19(24)21-22-17(14-10-9-12(25-2)11-16(14)26-3)20-15-8-6-5-7-13(15)18(22)23/h5-11,17,20H,4H2,1-3H3,(H,21,24)
InChIKeyAJEKDMIJUIFEFS-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.93
Rot. Bonds5

About ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate

ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate (PubChem CID 3422661) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate
PubChem CID3422661
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Nameethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate
SMILESCCOC(=O)NN1C(=O)c2ccccc2NC1c1ccc(OC)cc1OC
InChIInChI=1S/C19H21N3O5/c1-4-27-19(24)21-22-17(14-10-9-12(25-2)11-16(14)26-3)20-15-8-6-5-7-13(15)18(22)23/h5-11,17,20H,4H2,1-3H3,(H,21,24)
InChIKeyAJEKDMIJUIFEFS-UHFFFAOYSA-N
XLogP2.93
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate?
The IUPAC name of ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate (CID 3422661) is ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate is CCOC(=O)NN1C(=O)c2ccccc2NC1c1ccc(OC)cc1OC.
What is the InChIKey of ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate?
The InChIKey is AJEKDMIJUIFEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-4-27-19(24)21-22-17(14-10-9-12(25-2)11-16(14)26-3)20-15-8-6-5-7-13(15)18(22)23/h5-11,17,20H,4H2,1-3H3,(H,21,24).
What are the key properties of ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate?
ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate has a molecular weight of 371.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamate is sourced from PubChem (CID 3422661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).