1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one

C21H28N4O — CID 58562541

IUPAC1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one
SMILESCc1ccc2ncnc(NCC(=O)CC3CN(C4CCCCC4)C3)c2c1
InChIInChI=1S/C21H28N4O/c1-15-7-8-20-19(9-15)21(24-14-23-20)22-11-18(26)10-16-12-25(13-16)17-5-3-2-4-6-17/h7-9,14,16-17H,2-6,10-13H2,1H3,(H,22,23,24)
InChIKeyKJNUXOCJIAUGEH-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.57
Rot. Bonds6

About 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one

1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one (PubChem CID 58562541) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one
PubChem CID58562541
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one
SMILESCc1ccc2ncnc(NCC(=O)CC3CN(C4CCCCC4)C3)c2c1
InChIInChI=1S/C21H28N4O/c1-15-7-8-20-19(9-15)21(24-14-23-20)22-11-18(26)10-16-12-25(13-16)17-5-3-2-4-6-17/h7-9,14,16-17H,2-6,10-13H2,1H3,(H,22,23,24)
InChIKeyKJNUXOCJIAUGEH-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one with MolForge

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Related Compounds

1-[1-[4-hydroxy-4-(1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one
CID 159012119
1-[1-[4-hydroxy-4-(1-hydroxy-2-methylprop-2-enyl)cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one
CID 159012121
1-[1-[4-[hydroxy(1,3-thiazol-5-yl)methyl]cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one
CID 58562729
1-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one
CID 58562566
1-[1-(4-prop-1-en-2-ylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one
CID 58562511
1-[1-[4-(3-hydroxypentan-3-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one
CID 58562570
1-[1-[4-(1-hydroxybutyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one
CID 58562880
1-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]pyridin-2-one
CID 58562642
1-methyl-5-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one
CID 58562711
2-[(6-methylquinazolin-4-yl)amino]-N-[1-[4-(oxolan-2-yl)cyclohexyl]azetidin-3-yl]acetamide
CID 58562898
N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(6-methylquinazolin-4-yl)amino]acetamide
CID 58562914
1-[1-(1-deuterio-4-propan-2-ylcyclohexyl)azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one;ethyl 2-[4-[3-[3-[(6-methylquinazolin-4-yl)amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]acetate;1-[1-[4-(2-methoxyethyl)cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one;1-[1-[4-(1-methoxypropyl)cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one;bis(1-[1-(4-methylcyclohexyl)azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one)
CID 158253953

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one?
The IUPAC name of 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one (CID 58562541) is 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one.
What is the SMILES notation for 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one?
The canonical SMILES for 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one is Cc1ccc2ncnc(NCC(=O)CC3CN(C4CCCCC4)C3)c2c1.
What is the InChIKey of 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one?
The InChIKey is KJNUXOCJIAUGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-7-8-20-19(9-15)21(24-14-23-20)22-11-18(26)10-16-12-25(13-16)17-5-3-2-4-6-17/h7-9,14,16-17H,2-6,10-13H2,1H3,(H,22,23,24).
What are the key properties of 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one?
1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one has a molecular weight of 352.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylazetidin-3-yl)-3-[(6-methylquinazolin-4-yl)amino]propan-2-one is sourced from PubChem (CID 58562541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).