[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate

C24H26F2N4O2 — CID 68885559

IUPAC[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate
SMILESCN(C)c1nc(NC2CCC(COC(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc12
InChIInChI=1S/C24H26F2N4O2/c1-30(2)22-18-5-3-4-6-21(18)28-24(29-22)27-17-10-7-15(8-11-17)14-32-23(31)16-9-12-19(25)20(26)13-16/h3-6,9,12-13,15,17H,7-8,10-11,14H2,1-2H3,(H,27,28,29)
InChIKeyURYWSIAYKMRPGM-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.80
Rot. Bonds6

About [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate

[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate (PubChem CID 68885559) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate.

Molecular Properties

Compound Name[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate
PubChem CID68885559
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate
SMILESCN(C)c1nc(NC2CCC(COC(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc12
InChIInChI=1S/C24H26F2N4O2/c1-30(2)22-18-5-3-4-6-21(18)28-24(29-22)27-17-10-7-15(8-11-17)14-32-23(31)16-9-12-19(25)20(26)13-16/h3-6,9,12-13,15,17H,7-8,10-11,14H2,1-2H3,(H,27,28,29)
InChIKeyURYWSIAYKMRPGM-UHFFFAOYSA-N
XLogP4.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate with MolForge

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Related Compounds

N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-fluoro-3-methylbenzamide
CID 10296688
2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide
CID 11397235
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-fluoro-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 158022606
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
2-N-[4-[[(2-fluoro-5-methoxyphenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 160651399
1-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 69476095
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2,3,4,5-tetrafluorobenzamide;2,2,2-trifluoroacetic acid
CID 157295815
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane
CID 157175522
4-N,4-N-dimethyl-2-N-[4-[[(2,3,5,6-tetrafluorophenyl)methylamino]methyl]cyclohexyl]quinazoline-2,4-diamine;molecular hydrogen
CID 142229564
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
2-N-[4-[[(2-fluoro-4,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 159357773
N-[(3-chloro-2,6-difluorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68886216

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate?
The IUPAC name of [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate (CID 68885559) is [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate.
What is the SMILES notation for [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate?
The canonical SMILES for [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate is CN(C)c1nc(NC2CCC(COC(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc12.
What is the InChIKey of [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate?
The InChIKey is URYWSIAYKMRPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-30(2)22-18-5-3-4-6-21(18)28-24(29-22)27-17-10-7-15(8-11-17)14-32-23(31)16-9-12-19(25)20(26)13-16/h3-6,9,12-13,15,17H,7-8,10-11,14H2,1-2H3,(H,27,28,29).
What are the key properties of [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate?
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate has a molecular weight of 440.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl 3,4-difluorobenzoate is sourced from PubChem (CID 68885559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).