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

C24H32FN5O — CID 23027256

IUPACN-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)ccc1F
InChIInChI=1S/C24H32FN5O/c1-15-14-16(8-13-20(15)25)23(31)26-17-9-11-18(12-10-17)27-24-28-21-7-5-4-6-19(21)22(29-24)30(2)3/h8,13-14,17-18H,4-7,9-12H2,1-3H3,(H,26,31)(H,27,28,29)
InChIKeyBZSHPEAWHOQYFX-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.02
Rot. Bonds5

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

N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide (PubChem CID 23027256) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide
PubChem CID23027256
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC NameN-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)ccc1F
InChIInChI=1S/C24H32FN5O/c1-15-14-16(8-13-20(15)25)23(31)26-17-9-11-18(12-10-17)27-24-28-21-7-5-4-6-19(21)22(29-24)30(2)3/h8,13-14,17-18H,4-7,9-12H2,1-3H3,(H,26,31)(H,27,28,29)
InChIKeyBZSHPEAWHOQYFX-UHFFFAOYSA-N
XLogP4.02
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide
CID 23026622
N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 23026918
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
2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide
CID 23027406
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-chloro-2-nitrophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23026602
1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
CID 23027071
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-fluoro-3-methylbenzamide
CID 10296688
N-[(2R)-6-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-2-yl]-4-fluoro-3-methylbenzamide
CID 163655865
N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide
CID 23027828

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide (CID 23027256) is N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)ccc1F.
What is the InChIKey of N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide?
The InChIKey is BZSHPEAWHOQYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-15-14-16(8-13-20(15)25)23(31)26-17-9-11-18(12-10-17)27-24-28-21-7-5-4-6-19(21)22(29-24)30(2)3/h8,13-14,17-18H,4-7,9-12H2,1-3H3,(H,26,31)(H,27,28,29).
What are the key properties of N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide?
N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide has a molecular weight of 425.55 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 23027256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).