N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine

C30H37N5 — CID 142228277

IUPACN,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCCC2CCC(CNCc3cccc4cccnc34)CC2)nc2ccccc12
InChIInChI=1S/C30H37N5/c1-35(2)30-26-12-3-4-13-27(26)33-28(34-30)14-5-8-22-15-17-23(18-16-22)20-31-21-25-10-6-9-24-11-7-19-32-29(24)25/h3-4,6-7,9-13,19,22-23,31H,5,8,14-18,20-21H2,1-2H3
InChIKeyUVGOZZBIXYAVSK-UHFFFAOYSA-N
MW467.66 g/mol
LogP6.16
Rot. Bonds9

About N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine

N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine (PubChem CID 142228277) has the molecular formula C30H37N5 and a molecular weight of 467.66 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
PubChem CID142228277
Molecular FormulaC30H37N5
Molecular Weight467.66 g/mol
Exact Mass467.30
IUPAC NameN,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCCC2CCC(CNCc3cccc4cccnc34)CC2)nc2ccccc12
InChIInChI=1S/C30H37N5/c1-35(2)30-26-12-3-4-13-27(26)33-28(34-30)14-5-8-22-15-17-23(18-16-22)20-31-21-25-10-6-9-24-11-7-19-32-29(24)25/h3-4,6-7,9-13,19,22-23,31H,5,8,14-18,20-21H2,1-2H3
InChIKeyUVGOZZBIXYAVSK-UHFFFAOYSA-N
XLogP6.16
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 162599108
N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142231140
N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
CID 142229578
1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide
CID 142229142
ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
CID 142229131
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229295
N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine
CID 142229280
N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 142230208
2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine
CID 142229693
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]propanamide
CID 142229339
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylphenol;N,N,2-trimethylquinazolin-4-amine
CID 142230775

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine (CID 142228277) is N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine is CN(C)c1nc(CCCC2CCC(CNCc3cccc4cccnc34)CC2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine?
The InChIKey is UVGOZZBIXYAVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5/c1-35(2)30-26-12-3-4-13-27(26)33-28(34-30)14-5-8-22-15-17-23(18-16-22)20-31-21-25-10-6-9-24-11-7-19-32-29(24)25/h3-4,6-7,9-13,19,22-23,31H,5,8,14-18,20-21H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine?
N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine has a molecular weight of 467.66 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine is sourced from PubChem (CID 142228277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).