4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C23H22F3N3O2 — CID 4911915

IUPAC4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)17-9-11-18(12-10-17)28-21(30)16-7-5-15(6-8-16)13-29-14-27-20-4-2-1-3-19(20)22(29)31/h1-4,9-12,14-16H,5-8,13H2,(H,28,30)
InChIKeyPGUXBPPRGVBBAX-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.86
Rot. Bonds4

About 4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 4911915) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID4911915
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)17-9-11-18(12-10-17)28-21(30)16-7-5-15(6-8-16)13-29-14-27-20-4-2-1-3-19(20)22(29)31/h1-4,9-12,14-16H,5-8,13H2,(H,28,30)
InChIKeyPGUXBPPRGVBBAX-UHFFFAOYSA-N
XLogP4.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-[(4-oxoquinazolin-3-yl)methyl]cyclohexane-1-carboxamide
CID 124847352
(2S)-4-methylsulfanyl-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoic acid
CID 7660498
N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 38532450
(2S)-4-methylsulfanyl-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoate
CID 7660497
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
3-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138989035
1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453
N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide
CID 30804576
N-(3,4-difluorophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4903518
3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263950
N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522254

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 4911915) is 4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is PGUXBPPRGVBBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)17-9-11-18(12-10-17)28-21(30)16-7-5-15(6-8-16)13-29-14-27-20-4-2-1-3-19(20)22(29)31/h1-4,9-12,14-16H,5-8,13H2,(H,28,30).
What are the key properties of 4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 4911915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).