2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide

C25H31N5O — CID 142667408

IUPAC2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide
SMILESCN(C)c1nc(NC2CCC(CCc3ccccc3C(N)=O)CC2)nc2ccccc12
InChIInChI=1S/C25H31N5O/c1-30(2)24-21-9-5-6-10-22(21)28-25(29-24)27-19-15-12-17(13-16-19)11-14-18-7-3-4-8-20(18)23(26)31/h3-10,17,19H,11-16H2,1-2H3,(H2,26,31)(H,27,28,29)
InChIKeyVQOQWCPCUPSBKD-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.40
Rot. Bonds7

About 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide

2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide (PubChem CID 142667408) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide.

Molecular Properties

Compound Name2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide
PubChem CID142667408
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide
SMILESCN(C)c1nc(NC2CCC(CCc3ccccc3C(N)=O)CC2)nc2ccccc12
InChIInChI=1S/C25H31N5O/c1-30(2)24-21-9-5-6-10-22(21)28-25(29-24)27-19-15-12-17(13-16-19)11-14-18-7-3-4-8-20(18)23(26)31/h3-10,17,19H,11-16H2,1-2H3,(H2,26,31)(H,27,28,29)
InChIKeyVQOQWCPCUPSBKD-UHFFFAOYSA-N
XLogP4.40
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide with MolForge

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Related Compounds

[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
CID 163863609
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide
CID 10228060
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612634
2-N-[4-[6-[4-(dimethylamino)phenyl]hexyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142231011
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-[2-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 68847499
1-(cyclohexylmethyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]thiourea
CID 87612122
benzyl 4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylate
CID 68886825
N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68959773
1-benzhydryl-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]urea
CID 69473453

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide?
The IUPAC name of 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide (CID 142667408) is 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide.
What is the SMILES notation for 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide?
The canonical SMILES for 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide is CN(C)c1nc(NC2CCC(CCc3ccccc3C(N)=O)CC2)nc2ccccc12.
What is the InChIKey of 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide?
The InChIKey is VQOQWCPCUPSBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-30(2)24-21-9-5-6-10-22(21)28-25(29-24)27-19-15-12-17(13-16-19)11-14-18-7-3-4-8-20(18)23(26)31/h3-10,17,19H,11-16H2,1-2H3,(H2,26,31)(H,27,28,29).
What are the key properties of 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide?
2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide has a molecular weight of 417.56 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide is sourced from PubChem (CID 142667408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).