1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone

C16H20ClN5O — CID 87014727

IUPAC1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNc2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H20ClN5O/c1-12(23)22-8-6-21(7-9-22)5-4-18-16-14-3-2-13(17)10-15(14)19-11-20-16/h2-3,10-11H,4-9H2,1H3,(H,18,19,20)
InChIKeyQQZZPPUWXFPARY-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.86
Rot. Bonds4

About 1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone (PubChem CID 87014727) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
PubChem CID87014727
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNc2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H20ClN5O/c1-12(23)22-8-6-21(7-9-22)5-4-18-16-14-3-2-13(17)10-15(14)19-11-20-16/h2-3,10-11H,4-9H2,1H3,(H,18,19,20)
InChIKeyQQZZPPUWXFPARY-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[(6-bromoquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87021064
1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane
CID 178127443
6-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 70854811
ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
CID 65336790
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione
CID 167200226
4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine
CID 65337256
1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone
CID 178127178
7-chloro-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine
CID 133278645
2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 133296788
1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
CID 167983059

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone (CID 87014727) is 1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCNc2ncnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
The InChIKey is QQZZPPUWXFPARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-12(23)22-8-6-21(7-9-22)5-4-18-16-14-3-2-13(17)10-15(14)19-11-20-16/h2-3,10-11H,4-9H2,1H3,(H,18,19,20).
What are the key properties of 1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone has a molecular weight of 333.82 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 87014727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).