N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine

C32H40N4O — CID 142231140

IUPACN,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
SMILESCc1oc(-c2ccccc2)cc1CNCC1CCC(CCCc2nc(N(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C32H40N4O/c1-23-27(20-30(37-23)26-11-5-4-6-12-26)22-33-21-25-18-16-24(17-19-25)10-9-15-31-34-29-14-8-7-13-28(29)32(35-31)36(2)3/h4-8,11-14,20,24-25,33H,9-10,15-19,21-22H2,1-3H3
InChIKeyLMOZYBMPTVIKOP-UHFFFAOYSA-N
MW496.70 g/mol
LogP7.18
Rot. Bonds10

About N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine

N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine (PubChem CID 142231140) has the molecular formula C32H40N4O and a molecular weight of 496.70 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
PubChem CID142231140
Molecular FormulaC32H40N4O
Molecular Weight496.70 g/mol
Exact Mass496.32
IUPAC NameN,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
SMILESCc1oc(-c2ccccc2)cc1CNCC1CCC(CCCc2nc(N(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C32H40N4O/c1-23-27(20-30(37-23)26-11-5-4-6-12-26)22-33-21-25-18-16-24(17-19-25)10-9-15-31-34-29-14-8-7-13-28(29)32(35-31)36(2)3/h4-8,11-14,20,24-25,33H,9-10,15-19,21-22H2,1-3H3
InChIKeyLMOZYBMPTVIKOP-UHFFFAOYSA-N
XLogP7.18
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142228277
N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 162599108
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
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]propanamide
CID 142229339
2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine
CID 142229693
N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 142230208
1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229295
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylphenol;N,N,2-trimethylquinazolin-4-amine
CID 142230775
1-[2-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]cyclopropyl]-2-(2-iodophenyl)ethanone
CID 142229933
2-N-[4-[[(5-bromo-2-ethoxy-3-methylphenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142229936

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine (CID 142231140) is N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine is Cc1oc(-c2ccccc2)cc1CNCC1CCC(CCCc2nc(N(C)C)c3ccccc3n2)CC1.
What is the InChIKey of N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine?
The InChIKey is LMOZYBMPTVIKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O/c1-23-27(20-30(37-23)26-11-5-4-6-12-26)22-33-21-25-18-16-24(17-19-25)10-9-15-31-34-29-14-8-7-13-28(29)32(35-31)36(2)3/h4-8,11-14,20,24-25,33H,9-10,15-19,21-22H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine?
N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine has a molecular weight of 496.70 g/mol, XLogP of 7.18, 10 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-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine is sourced from PubChem (CID 142231140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).