1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone

C20H20F2N4O — CID 149124301

IUPAC1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone
SMILESCn1cncc1-c1ccc2cnc(CC(=O)C3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C20H20F2N4O/c1-26-12-23-11-17(26)14-2-3-15-10-24-19(25-16(15)8-14)9-18(27)13-4-6-20(21,22)7-5-13/h2-3,8,10-13H,4-7,9H2,1H3
InChIKeyRAOZSKRUOLIMFJ-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.97
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone

1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone (PubChem CID 149124301) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone
PubChem CID149124301
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone
SMILESCn1cncc1-c1ccc2cnc(CC(=O)C3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C20H20F2N4O/c1-26-12-23-11-17(26)14-2-3-15-10-24-19(25-16(15)8-14)9-18(27)13-4-6-20(21,22)7-5-13/h2-3,8,10-13H,4-7,9H2,1H3
InChIKeyRAOZSKRUOLIMFJ-UHFFFAOYSA-N
XLogP3.97
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,4-difluorocyclohexyl)-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147773317
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 162233590
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2,3,5,6-tetradeuterio-4-methylphenyl)ethanone
CID 160792121
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone
CID 160792119
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone
CID 158342850
N-[1-(4,4-difluorocyclohexyl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954633
1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 158091038
5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile
CID 147567938
1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone
CID 157306288
1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone
CID 158822930
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 147308909
2,2,2-trifluoro-1-[6-[2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetyl]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 162225541

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone (CID 149124301) is 1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone is Cn1cncc1-c1ccc2cnc(CC(=O)C3CCC(F)(F)CC3)nc2c1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone?
The InChIKey is RAOZSKRUOLIMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-26-12-23-11-17(26)14-2-3-15-10-24-19(25-16(15)8-14)9-18(27)13-4-6-20(21,22)7-5-13/h2-3,8,10-13H,4-7,9H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone?
1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone has a molecular weight of 370.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone is sourced from PubChem (CID 149124301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).