N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide

C24H35N5O — CID 142228752

IUPACN-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide
SMILESCN(C)c1nc(NCC2CCC(NC(=O)C3CCCCC3)CC2)nc2ccccc12
InChIInChI=1S/C24H35N5O/c1-29(2)22-20-10-6-7-11-21(20)27-24(28-22)25-16-17-12-14-19(15-13-17)26-23(30)18-8-4-3-5-9-18/h6-7,10-11,17-19H,3-5,8-9,12-16H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyOFDOIWHMVZFZCK-UHFFFAOYSA-N
MW409.58 g/mol
LogP4.36
Rot. Bonds6

About N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide

N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide (PubChem CID 142228752) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide
PubChem CID142228752
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC NameN-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide
SMILESCN(C)c1nc(NCC2CCC(NC(=O)C3CCCCC3)CC2)nc2ccccc12
InChIInChI=1S/C24H35N5O/c1-29(2)22-20-10-6-7-11-21(20)27-24(28-22)25-16-17-12-14-19(15-13-17)26-23(30)18-8-4-3-5-9-18/h6-7,10-11,17-19H,3-5,8-9,12-16H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyOFDOIWHMVZFZCK-UHFFFAOYSA-N
XLogP4.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide with MolForge

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Related Compounds

4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 68850271
tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
CID 68846239
1-(cyclohexylmethyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]thiourea
CID 87612122
3-(2-chlorophenyl)-N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 142229855
N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]-4-methoxy-3-phenylmethoxybenzamide
CID 142230887
1-cyclooctyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612310
3-chloro-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluorobenzamide
CID 142228789
2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide
CID 142228886
1-cyclopentyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612155
N-butylsulfanylmethanamine;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142228536
4-N,4-N-dimethyl-2-N-[[4-[[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylamino]methyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142229651
4-N,4-N-dimethyl-2-N-[[4-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142230928

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide (CID 142228752) is N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide is CN(C)c1nc(NCC2CCC(NC(=O)C3CCCCC3)CC2)nc2ccccc12.
What is the InChIKey of N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide?
The InChIKey is OFDOIWHMVZFZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-29(2)22-20-10-6-7-11-21(20)27-24(28-22)25-16-17-12-14-19(15-13-17)26-23(30)18-8-4-3-5-9-18/h6-7,10-11,17-19H,3-5,8-9,12-16H2,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide?
N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide has a molecular weight of 409.58 g/mol, XLogP of 4.36, 6 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]methyl]cyclohexyl]cyclohexanecarboxamide is sourced from PubChem (CID 142228752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).