3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide

C30H35N5O2 — CID 23026622

IUPAC3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)c3cccc(C(=O)c4ccccc4)c3)CC2)nc2c1CCCC2
InChIInChI=1S/C30H35N5O2/c1-35(2)28-25-13-6-7-14-26(25)33-30(34-28)32-24-17-15-23(16-18-24)31-29(37)22-12-8-11-21(19-22)27(36)20-9-4-3-5-10-20/h3-5,8-12,19,23-24H,6-7,13-18H2,1-2H3,(H,31,37)(H,32,33,34)
InChIKeyCVHYCTAPPKOFMO-UHFFFAOYSA-N
MW497.64 g/mol
LogP4.81
Rot. Bonds7

About 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide

3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide (PubChem CID 23026622) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide
PubChem CID23026622
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)c3cccc(C(=O)c4ccccc4)c3)CC2)nc2c1CCCC2
InChIInChI=1S/C30H35N5O2/c1-35(2)28-25-13-6-7-14-26(25)33-30(34-28)32-24-17-15-23(16-18-24)31-29(37)22-12-8-11-21(19-22)27(36)20-9-4-3-5-10-20/h3-5,8-12,19,23-24H,6-7,13-18H2,1-2H3,(H,31,37)(H,32,33,34)
InChIKeyCVHYCTAPPKOFMO-UHFFFAOYSA-N
XLogP4.81
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide with MolForge

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Related Compounds

N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide
CID 23027256
1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
CID 23027071
2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide
CID 23027406
N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 23026918
1-(3-chloro-2-methylphenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23026617
1-(2,6-dichlorophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]thiourea
CID 23027095
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-cyanophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]thiourea
CID 23027272
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 162306900
N-[4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 87995707
1-(2,4-dibromo-6-fluorophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23027525

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide (CID 23026622) is 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide is CN(C)c1nc(NC2CCC(NC(=O)c3cccc(C(=O)c4ccccc4)c3)CC2)nc2c1CCCC2.
What is the InChIKey of 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide?
The InChIKey is CVHYCTAPPKOFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-35(2)28-25-13-6-7-14-26(25)33-30(34-28)32-24-17-15-23(16-18-24)31-29(37)22-12-8-11-21(19-22)27(36)20-9-4-3-5-10-20/h3-5,8-12,19,23-24H,6-7,13-18H2,1-2H3,(H,31,37)(H,32,33,34).
What are the key properties of 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide?
3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide has a molecular weight of 497.64 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 23026622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).