2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide

C24H32BrN5O — CID 23027406

IUPAC2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)Cc3ccccc3Br)CC2)nc2c1CCCC2
InChIInChI=1S/C24H32BrN5O/c1-30(2)23-19-8-4-6-10-21(19)28-24(29-23)27-18-13-11-17(12-14-18)26-22(31)15-16-7-3-5-9-20(16)25/h3,5,7,9,17-18H,4,6,8,10-15H2,1-2H3,(H,26,31)(H,27,28,29)
InChIKeyWBVKBXFSABSLIX-UHFFFAOYSA-N
MW486.46 g/mol
LogP4.27
Rot. Bonds6

About 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide

2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 23027406) has the molecular formula C24H32BrN5O and a molecular weight of 486.46 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide
PubChem CID23027406
Molecular FormulaC24H32BrN5O
Molecular Weight486.46 g/mol
Exact Mass485.18
IUPAC Name2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)Cc3ccccc3Br)CC2)nc2c1CCCC2
InChIInChI=1S/C24H32BrN5O/c1-30(2)23-19-8-4-6-10-21(19)28-24(29-23)27-18-13-11-17(12-14-18)26-22(31)15-16-7-3-5-9-20(16)25/h3,5,7,9,17-18H,4,6,8,10-15H2,1-2H3,(H,26,31)(H,27,28,29)
InChIKeyWBVKBXFSABSLIX-UHFFFAOYSA-N
XLogP4.27
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide
CID 23026622
1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
CID 23027071
1-(3-chloro-2-methylphenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23026617
1-[(3,4-dichlorophenyl)methyl]-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23027099
1-(4-bromo-2,6-difluorophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23027524
1-(2,4-dibromo-6-fluorophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23027525
N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide
CID 23027256
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
CID 163863609
1-(2,6-dichlorophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]thiourea
CID 23027095
1-(2-cyanophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]thiourea
CID 23027272
1-(4-chloro-2-nitrophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23026602
N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 23026918

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide (CID 23027406) is 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide is CN(C)c1nc(NC2CCC(NC(=O)Cc3ccccc3Br)CC2)nc2c1CCCC2.
What is the InChIKey of 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is WBVKBXFSABSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrN5O/c1-30(2)23-19-8-4-6-10-21(19)28-24(29-23)27-18-13-11-17(12-14-18)26-22(31)15-16-7-3-5-9-20(16)25/h3,5,7,9,17-18H,4,6,8,10-15H2,1-2H3,(H,26,31)(H,27,28,29).
What are the key properties of 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide?
2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 486.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 23027406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).