6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one

C22H27N5O2 — CID 164602506

IUPAC6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one
SMILESCn1c(=O)cc(NC2CCC(NC3COC3)CC2)c2cc(-n3ccnc3)ccc21
InChIInChI=1S/C22H27N5O2/c1-26-21-7-6-18(27-9-8-23-14-27)10-19(21)20(11-22(26)28)25-16-4-2-15(3-5-16)24-17-12-29-13-17/h6-11,14-17,24-25H,2-5,12-13H2,1H3
InChIKeyXUZHPIFBRILSHU-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.44
Rot. Bonds5

About 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one

6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one (PubChem CID 164602506) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one.

Molecular Properties

Compound Name6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one
PubChem CID164602506
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one
SMILESCn1c(=O)cc(NC2CCC(NC3COC3)CC2)c2cc(-n3ccnc3)ccc21
InChIInChI=1S/C22H27N5O2/c1-26-21-7-6-18(27-9-8-23-14-27)10-19(21)20(11-22(26)28)25-16-4-2-15(3-5-16)24-17-12-29-13-17/h6-11,14-17,24-25H,2-5,12-13H2,1H3
InChIKeyXUZHPIFBRILSHU-UHFFFAOYSA-N
XLogP2.44
TPSA73.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one with MolForge

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Related Compounds

6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one
CID 142478419
4-(cyclobutylamino)-1-methylquinolin-2-one
CID 81244035
2-chloro-4-[[4-(cyclobutylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
CID 142478325
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione
CID 10800184
3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63428404
N-(4-ethylcyclohexyl)-3-imidazol-1-ylaniline
CID 43678323
3-imidazol-1-yl-N-(4-propylcyclohexyl)aniline
CID 43678288
1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one
CID 81243745
1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154750878
5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 164796277
5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19977124

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one?
The IUPAC name of 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one (CID 164602506) is 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one.
What is the SMILES notation for 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one?
The canonical SMILES for 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one is Cn1c(=O)cc(NC2CCC(NC3COC3)CC2)c2cc(-n3ccnc3)ccc21.
What is the InChIKey of 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one?
The InChIKey is XUZHPIFBRILSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-26-21-7-6-18(27-9-8-23-14-27)10-19(21)20(11-22(26)28)25-16-4-2-15(3-5-16)24-17-12-29-13-17/h6-11,14-17,24-25H,2-5,12-13H2,1H3.
What are the key properties of 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one?
6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-1-methyl-4-[[4-(oxetan-3-ylamino)cyclohexyl]amino]quinolin-2-one is sourced from PubChem (CID 164602506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).