2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide

C24H33N5O2 — CID 58562898

IUPAC2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide
SMILESCc1ccc2ncnc(NCC(=O)NC3CN(C4CCC(C5CCCO5)CC4)C3)c2c1
InChIInChI=1S/C24H33N5O2/c1-16-4-9-21-20(11-16)24(27-15-26-21)25-12-23(30)28-18-13-29(14-18)19-7-5-17(6-8-19)22-3-2-10-31-22/h4,9,11,15,17-19,22H,2-3,5-8,10,12-14H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyGSNZENXBKLTFQX-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.89
Rot. Bonds6

About 2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide

2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide (PubChem CID 58562898) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide
PubChem CID58562898
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide
SMILESCc1ccc2ncnc(NCC(=O)NC3CN(C4CCC(C5CCCO5)CC4)C3)c2c1
InChIInChI=1S/C24H33N5O2/c1-16-4-9-21-20(11-16)24(27-15-26-21)25-12-23(30)28-18-13-29(14-18)19-7-5-17(6-8-19)22-3-2-10-31-22/h4,9,11,15,17-19,22H,2-3,5-8,10,12-14H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyGSNZENXBKLTFQX-UHFFFAOYSA-N
XLogP2.89
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bms-681
CID 68764898
(s)-1-((1s,2s,4r)-2-Isopropyl-4-(isopropyl(methyl)amino)cyclohexyl)-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-one
CID 16064151
N-((1r,2s,5r)-5-(isopropyl(methyl)amino)-2-((s)-2-oxo-3-((6-(trifluoromethyl)quinazolin-4-yl)amino)pyrrolidin-1-yl)cyclohexyl)acetamide
CID 23725177
(S)-1-((1S,2R,4R)-2-ethyl-4-(isopropyl(methyl)amino)-cyclohexyl)-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-one
CID 68764925
N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769305
(3S)-1-[(1S,2R,4R)-2-methyl-4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 68768752
(3S)-1-[(1S,2R,4R)-2-(methoxymethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 68769802
N-[1-[4-(1-hydroxyprop-2-enyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54768839
N-[1-[4-(1-hydroxybut-3-enyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769070
N-[1-[4-(1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769071
N-[1-[4-(1-hydroxy-2,2-dimethylpropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769072
N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769073

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide?
The IUPAC name of 2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide (CID 58562898) is 2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide.
What is the SMILES notation for 2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide?
The canonical SMILES for 2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide is Cc1ccc2ncnc(NCC(=O)NC3CN(C4CCC(C5CCCO5)CC4)C3)c2c1.
What is the InChIKey of 2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide?
The InChIKey is GSNZENXBKLTFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-16-4-9-21-20(11-16)24(27-15-26-21)25-12-23(30)28-18-13-29(14-18)19-7-5-17(6-8-19)22-3-2-10-31-22/h4,9,11,15,17-19,22H,2-3,5-8,10,12-14H2,1H3,(H,28,30)(H,25,26,27).
What are the key properties of 2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide?
2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 58562898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).