ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate

C17H22ClN5O2 — CID 25179123

IUPACethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H22ClN5O2/c1-3-25-15(24)11-19-16-13-10-12(18)4-5-14(13)20-17(21-16)23-8-6-22(2)7-9-23/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20,21)
InChIKeyKZOYWPDAGQIBCG-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.01
Rot. Bonds5

About ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate

ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate (PubChem CID 25179123) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate
PubChem CID25179123
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Nameethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H22ClN5O2/c1-3-25-15(24)11-19-16-13-10-12(18)4-5-14(13)20-17(21-16)23-8-6-22(2)7-9-23/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20,21)
InChIKeyKZOYWPDAGQIBCG-UHFFFAOYSA-N
XLogP2.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
(e)-4-(6-Chloro-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)vinyl)quinazolin-4-yl)morpholine
CID 72706537
4-(6-Chloro-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)ethyl)quinazolin-4-yl)morpholine
CID 72706603
Ethyl 4-(benzylamino)quinazoline-2-carboxylate
CID 731981
6-Chloro-4-methyl-2-morpholinoquinoline
CID 1477208
2-[(2-Phenylquinazolin-4-yl)amino]ethyl propionate
CID 16187957
2-[4-(6-Chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol
CID 665288
2-[[2-(4-Chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2951954
6-Chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 24759518
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine
CID 25178131

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate (CID 25179123) is ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate is CCOC(=O)CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12.
What is the InChIKey of ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate?
The InChIKey is KZOYWPDAGQIBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-3-25-15(24)11-19-16-13-10-12(18)4-5-14(13)20-17(21-16)23-8-6-22(2)7-9-23/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate?
ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate has a molecular weight of 363.85 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate is sourced from PubChem (CID 25179123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).