N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide

C26H33N5O — CID 163863609

IUPACN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C26H33N5O/c1-18-8-4-5-9-19(18)12-17-24(32)27-20-13-15-21(16-14-20)28-26-29-23-11-7-6-10-22(23)25(30-26)31(2)3/h4-11,20-21H,12-17H2,1-3H3,(H,27,32)(H,28,29,30)
InChIKeyPESBPMCBFPFYEL-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.48
Rot. Bonds7

About N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide (PubChem CID 163863609) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
PubChem CID163863609
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C26H33N5O/c1-18-8-4-5-9-19(18)12-17-24(32)27-20-13-15-21(16-14-20)28-26-29-23-11-7-6-10-22(23)25(30-26)31(2)3/h4-11,20-21H,12-17H2,1-3H3,(H,27,32)(H,28,29,30)
InChIKeyPESBPMCBFPFYEL-UHFFFAOYSA-N
XLogP4.48
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide 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
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612634
[4-[[4-(N,2-dimethylanilino)quinazolin-2-yl]amino]cyclohexyl]carbamic acid
CID 69014011
1-(4-bromo-2,6-dimethylphenyl)-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68885386
2-[2-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]ethyl]benzamide
CID 142667408
1-cyclopentyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612155
1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-methoxy-2-methylphenyl)urea
CID 68955340
1-cyclooctyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612310
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide
CID 10164382
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]nonanamide
CID 142230266
N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68959773

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide (CID 163863609) is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)NC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1.
What is the InChIKey of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide?
The InChIKey is PESBPMCBFPFYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-18-8-4-5-9-19(18)12-17-24(32)27-20-13-15-21(16-14-20)28-26-29-23-11-7-6-10-22(23)25(30-26)31(2)3/h4-11,20-21H,12-17H2,1-3H3,(H,27,32)(H,28,29,30).
What are the key properties of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide?
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide has a molecular weight of 431.58 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 163863609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).