N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

C22H21F2N3O3 — CID 4911578

IUPACN-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C22H21F2N3O3/c23-15-9-10-19(17(24)11-15)25-20(28)14-7-5-13(6-8-14)12-27-21(29)16-3-1-2-4-18(16)26-22(27)30/h1-4,9-11,13-14H,5-8,12H2,(H,25,28)(H,26,30)
InChIKeyRVIFQGORZMIBJT-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.41
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 4911578) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID4911578
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC NameN-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C22H21F2N3O3/c23-15-9-10-19(17(24)11-15)25-20(28)14-7-5-13(6-8-14)12-27-21(29)16-3-1-2-4-18(16)26-22(27)30/h1-4,9-11,13-14H,5-8,12H2,(H,25,28)(H,26,30)
InChIKeyRVIFQGORZMIBJT-UHFFFAOYSA-N
XLogP3.41
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4907682
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 4911387
methyl 3-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoate
CID 39354221
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(3-ethoxypropyl)cyclohexane-1-carboxamide
CID 22588201
methyl 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-4-methylpentanoate
CID 171138518
3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione
CID 39314217
4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149008
1-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 122176153
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione
CID 111466203
4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(4-phenylbutan-2-yl)cyclohexane-1-carboxamide
CID 15996888

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide (CID 4911578) is N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide is O=C(Nc1ccc(F)cc1F)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is RVIFQGORZMIBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c23-15-9-10-19(17(24)11-15)25-20(28)14-7-5-13(6-8-14)12-27-21(29)16-3-1-2-4-18(16)26-22(27)30/h1-4,9-11,13-14H,5-8,12H2,(H,25,28)(H,26,30).
What are the key properties of N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide?
N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 413.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 4911578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).