1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane

C14H15ClF2N4O — CID 178127443

IUPAC1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane
SMILESFCF.O=C(CNc1ncnc2cc(Cl)ccc12)N1CCC1
InChIInChI=1S/C13H13ClN4O.CH2F2/c14-9-2-3-10-11(6-9)16-8-17-13(10)15-7-12(19)18-4-1-5-18;2-1-3/h2-3,6,8H,1,4-5,7H2,(H,15,16,17);1H2
InChIKeyPNUIBJHRERLISK-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.81
Rot. Bonds3

About 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane

1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane (PubChem CID 178127443) has the molecular formula C14H15ClF2N4O and a molecular weight of 328.75 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane
PubChem CID178127443
Molecular FormulaC14H15ClF2N4O
Molecular Weight328.75 g/mol
Exact Mass328.09
IUPAC Name1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane
SMILESFCF.O=C(CNc1ncnc2cc(Cl)ccc12)N1CCC1
InChIInChI=1S/C13H13ClN4O.CH2F2/c14-9-2-3-10-11(6-9)16-8-17-13(10)15-7-12(19)18-4-1-5-18;2-1-3/h2-3,6,8H,1,4-5,7H2,(H,15,16,17);1H2
InChIKeyPNUIBJHRERLISK-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane with MolForge

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Related Compounds

1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone
CID 178127178
ethane;methanol;1-piperidin-1-yl-2-[[7-(trifluoromethoxy)quinazolin-4-yl]amino]ethanone
CID 178127315
1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87014727
1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
CID 167983059
2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
CID 133307011
ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
(2R)-2-[(7-chloroquinazolin-4-yl)amino]-1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-one
CID 178126825
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(quinazolin-4-ylamino)ethanone
CID 110436947
1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286270

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane?
The IUPAC name of 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane (CID 178127443) is 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane?
The canonical SMILES for 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane is FCF.O=C(CNc1ncnc2cc(Cl)ccc12)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane?
The InChIKey is PNUIBJHRERLISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O.CH2F2/c14-9-2-3-10-11(6-9)16-8-17-13(10)15-7-12(19)18-4-1-5-18;2-1-3/h2-3,6,8H,1,4-5,7H2,(H,15,16,17);1H2.
What are the key properties of 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane?
1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane has a molecular weight of 328.75 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane is sourced from PubChem (CID 178127443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).