1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone

C16H17ClN4O — CID 178127178

IUPAC1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone
SMILESO=C(CNc1ncnc2cc(Cl)ccc12)N1CC2(CCC2)C1
InChIInChI=1S/C16H17ClN4O/c17-11-2-3-12-13(6-11)19-10-20-15(12)18-7-14(22)21-8-16(9-21)4-1-5-16/h2-3,6,10H,1,4-5,7-9H2,(H,18,19,20)
InChIKeyARNLJFDNPIELLO-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.71
Rot. Bonds3

About 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone

1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone (PubChem CID 178127178) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone
PubChem CID178127178
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone
SMILESO=C(CNc1ncnc2cc(Cl)ccc12)N1CC2(CCC2)C1
InChIInChI=1S/C16H17ClN4O/c17-11-2-3-12-13(6-11)19-10-20-15(12)18-7-14(22)21-8-16(9-21)4-1-5-16/h2-3,6,10H,1,4-5,7-9H2,(H,18,19,20)
InChIKeyARNLJFDNPIELLO-UHFFFAOYSA-N
XLogP2.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone with MolForge

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Related Compounds

1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane
CID 178127443
1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
CID 167983059
ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87014727
2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
CID 133307011
(2R)-2-[(7-chloroquinazolin-4-yl)amino]-1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-one
CID 178126825
(2R)-2-[(7-chloroquinazolin-4-yl)amino]-1-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]propan-1-one
CID 178127368
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
ethane;methanol;1-piperidin-1-yl-2-[[7-(trifluoromethoxy)quinazolin-4-yl]amino]ethanone
CID 178127315
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone
CID 110436947
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
[4-[[(7-chloroquinazolin-4-yl)amino]methyl]phenyl]urea
CID 86917015

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone?
The IUPAC name of 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone (CID 178127178) is 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone?
The canonical SMILES for 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone is O=C(CNc1ncnc2cc(Cl)ccc12)N1CC2(CCC2)C1.
What is the InChIKey of 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone?
The InChIKey is ARNLJFDNPIELLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-11-2-3-12-13(6-11)19-10-20-15(12)18-7-14(22)21-8-16(9-21)4-1-5-16/h2-3,6,10H,1,4-5,7-9H2,(H,18,19,20).
What are the key properties of 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone?
1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone has a molecular weight of 316.79 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone is sourced from PubChem (CID 178127178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).