(2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one

C18H24N4O2 — CID 178126909

IUPAC(2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one
SMILESCCO[C@@H]1CN(C(=O)[C@@H](C)Nc2ncnc3cc(C)ccc23)[C@H]1C
InChIInChI=1S/C18H24N4O2/c1-5-24-16-9-22(13(16)4)18(23)12(3)21-17-14-7-6-11(2)8-15(14)19-10-20-17/h6-8,10,12-13,16H,5,9H2,1-4H3,(H,19,20,21)/t12-,13+,16-/m1/s1
InChIKeyFANVOIQQENIFDM-DVOMOZLQSA-N
MW328.42 g/mol
LogP2.37
Rot. Bonds5

About (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one

(2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one (PubChem CID 178126909) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one
PubChem CID178126909
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one
SMILESCCO[C@@H]1CN(C(=O)[C@@H](C)Nc2ncnc3cc(C)ccc23)[C@H]1C
InChIInChI=1S/C18H24N4O2/c1-5-24-16-9-22(13(16)4)18(23)12(3)21-17-14-7-6-11(2)8-15(14)19-10-20-17/h6-8,10,12-13,16H,5,9H2,1-4H3,(H,19,20,21)/t12-,13+,16-/m1/s1
InChIKeyFANVOIQQENIFDM-DVOMOZLQSA-N
XLogP2.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one with MolForge

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Related Compounds

(2R)-2-[(7-cyclopropyloxyquinazolin-4-yl)amino]-1-[(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidin-1-yl]propan-1-one
CID 178127324
(2R)-2-[(7-chloroquinazolin-4-yl)amino]-1-[(2S)-3,3-difluoro-2-methylazetidin-1-yl]propan-1-one
CID 178127368
(2R)-2-[[7-(trifluoromethoxy)quinazolin-4-yl]amino]-1-[3-(trifluoromethyl)azetidin-1-yl]propan-1-one
CID 178127180
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
(2R)-2-[[6-(3,5-difluoro-2-pyridinyl)-5-fluoropyrimidin-4-yl]amino]-1-[(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidin-1-yl]propan-1-one
CID 178127424
4-[[(1R)-1-carboxylatoethyl]amino]quinazoline-7-carboxylate
CID 6984805
(2R)-1-[(7R)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[7-(trifluoromethoxy)quinazolin-4-yl]amino]propan-1-one
CID 178126860
(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide
CID 126444405
(2R)-1-[(2R,4S)-2-ethenyl-4-methoxypiperidin-1-yl]-2-[[7-(trifluoromethoxy)quinazolin-4-yl]amino]propan-1-one
CID 178126900
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate
CID 6927209
(2R)-2-[(7-chloroquinazolin-4-yl)amino]-1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-one
CID 178126825

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one?
The IUPAC name of (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one (CID 178126909) is (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one.
What is the SMILES notation for (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one?
The canonical SMILES for (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one is CCO[C@@H]1CN(C(=O)[C@@H](C)Nc2ncnc3cc(C)ccc23)[C@H]1C.
What is the InChIKey of (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one?
The InChIKey is FANVOIQQENIFDM-DVOMOZLQSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-24-16-9-22(13(16)4)18(23)12(3)21-17-14-7-6-11(2)8-15(14)19-10-20-17/h6-8,10,12-13,16H,5,9H2,1-4H3,(H,19,20,21)/t12-,13+,16-/m1/s1.
What are the key properties of (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one?
(2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,3R)-3-ethoxy-2-methylazetidin-1-yl]-2-[(7-methylquinazolin-4-yl)amino]propan-1-one is sourced from PubChem (CID 178126909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).