ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate

C15H15N3O3S — CID 4103134

IUPACethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate
SMILESCCOC(=O)NN1C(=O)c2ccccc2NC1c1cccs1
InChIInChI=1S/C15H15N3O3S/c1-2-21-15(20)17-18-13(12-8-5-9-22-12)16-11-7-4-3-6-10(11)14(18)19/h3-9,13,16H,2H2,1H3,(H,17,20)
InChIKeyXQFWHQAVTRWOTB-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.98
Rot. Bonds3

About ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate

ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate (PubChem CID 4103134) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate
PubChem CID4103134
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Nameethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate
SMILESCCOC(=O)NN1C(=O)c2ccccc2NC1c1cccs1
InChIInChI=1S/C15H15N3O3S/c1-2-21-15(20)17-18-13(12-8-5-9-22-12)16-11-7-4-3-6-10(11)14(18)19/h3-9,13,16H,2H2,1H3,(H,17,20)
InChIKeyXQFWHQAVTRWOTB-UHFFFAOYSA-N
XLogP2.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 658113
ethyl 2-methyl-4-oxo-1,4-dihydroquinazolin-3(2H)-ylcarbamate
CID 4430384
3-Hydroxy-2-(2-thienyl)-1,2,3-trihydroquinazolin-4-one
CID 3447676
1,3-Dimethyl-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 647507
ethyl 4-oxo-2-phenyl-1,4-dihydroquinazolin-3(2H)-ylcarbamate
CID 4230117
N-(4-oxo-2-thien-2-yl-1,4-dihydroquinazolin-3(2H)-yl)benzenesulfonamide
CID 5210885
N-[4-oxo-2-(thiophen-2-yl)-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamide
CID 3653016
2-(5-methylthiophen-2-yl)-2,3-dihydroquinazolin-4(1H)-one
CID 300571
3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
CID 866389
2-(5-Ethylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 71625532
2-(5-Methylsulfanylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 71625535
Retro-2 cycl
CID 71716811

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate?
The IUPAC name of ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate (CID 4103134) is ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate?
The canonical SMILES for ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate is CCOC(=O)NN1C(=O)c2ccccc2NC1c1cccs1.
What is the InChIKey of ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate?
The InChIKey is XQFWHQAVTRWOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-21-15(20)17-18-13(12-8-5-9-22-12)16-11-7-4-3-6-10(11)14(18)19/h3-9,13,16H,2H2,1H3,(H,17,20).
What are the key properties of ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate?
ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate has a molecular weight of 317.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)carbamate is sourced from PubChem (CID 4103134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).