2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

C21H21ClN4O3 — CID 7587583

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)Cn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C21H21ClN4O3/c1-3-14-6-4-5-7-17(14)24-19(27)11-25(2)20(28)12-26-13-23-18-9-8-15(22)10-16(18)21(26)29/h4-10,13H,3,11-12H2,1-2H3,(H,24,27)
InChIKeyKTUWKTXJSOHEFJ-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.71
Rot. Bonds6

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 7587583) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID7587583
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)Cn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C21H21ClN4O3/c1-3-14-6-4-5-7-17(14)24-19(27)11-25(2)20(28)12-26-13-23-18-9-8-15(22)10-16(18)21(26)29/h4-10,13H,3,11-12H2,1-2H3,(H,24,27)
InChIKeyKTUWKTXJSOHEFJ-UHFFFAOYSA-N
XLogP2.71
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (CID 7587583) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is CCc1ccccc1NC(=O)CN(C)C(=O)Cn1cnc2ccc(Cl)cc2c1=O.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is KTUWKTXJSOHEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-3-14-6-4-5-7-17(14)24-19(27)11-25(2)20(28)12-26-13-23-18-9-8-15(22)10-16(18)21(26)29/h4-10,13H,3,11-12H2,1-2H3,(H,24,27).
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 412.88 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 7587583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).