4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide

C26H33N5O — CID 68885137

IUPAC4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1cc(C)cc(CNC(=O)C2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)c1
InChIInChI=1S/C26H33N5O/c1-17-13-18(2)15-19(14-17)16-27-25(32)20-9-11-21(12-10-20)28-26-29-23-8-6-5-7-22(23)24(30-26)31(3)4/h5-8,13-15,20-21H,9-12,16H2,1-4H3,(H,27,32)(H,28,29,30)
InChIKeyNNEFHMMJZHZYNN-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.60
Rot. Bonds6

About 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide

4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 68885137) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID68885137
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1cc(C)cc(CNC(=O)C2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)c1
InChIInChI=1S/C26H33N5O/c1-17-13-18(2)15-19(14-17)16-27-25(32)20-9-11-21(12-10-20)28-26-29-23-8-6-5-7-22(23)24(30-26)31(3)4/h5-8,13-15,20-21H,9-12,16H2,1-4H3,(H,27,32)(H,28,29,30)
InChIKeyNNEFHMMJZHZYNN-UHFFFAOYSA-N
XLogP4.60
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 69015517
N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68959773
N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68885134
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
N-[(3-chloro-2,6-difluorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68886216
1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-[(3-methylphenyl)methyl]thiourea
CID 87848678
benzyl 4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylate
CID 68886825
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-(3-nitrophenyl)cyclohexane-1-carboxamide
CID 68883218
2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 89376623
2-N-[4-[[(4-aminophenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 89376599
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612634

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide (CID 68885137) is 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide is Cc1cc(C)cc(CNC(=O)C2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)c1.
What is the InChIKey of 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is NNEFHMMJZHZYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-17-13-18(2)15-19(14-17)16-27-25(32)20-9-11-21(12-10-20)28-26-29-23-8-6-5-7-22(23)24(30-26)31(3)4/h5-8,13-15,20-21H,9-12,16H2,1-4H3,(H,27,32)(H,28,29,30).
What are the key properties of 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide?
4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 68885137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).