N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine

C26H34N4O2 — CID 110194319

IUPACN'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine
SMILESCOc1ccc(CN(CCCN(C)C)c2ncnc3ccccc23)cc1OC1CCCC1
InChIInChI=1S/C26H34N4O2/c1-29(2)15-8-16-30(26-22-11-6-7-12-23(22)27-19-28-26)18-20-13-14-24(31-3)25(17-20)32-21-9-4-5-10-21/h6-7,11-14,17,19,21H,4-5,8-10,15-16,18H2,1-3H3
InChIKeyJSBMBHQGLQBVSA-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.92
Rot. Bonds10

About N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine

N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine (PubChem CID 110194319) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine
PubChem CID110194319
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine
SMILESCOc1ccc(CN(CCCN(C)C)c2ncnc3ccccc23)cc1OC1CCCC1
InChIInChI=1S/C26H34N4O2/c1-29(2)15-8-16-30(26-22-11-6-7-12-23(22)27-19-28-26)18-20-13-14-24(31-3)25(17-20)32-21-9-4-5-10-21/h6-7,11-14,17,19,21H,4-5,8-10,15-16,18H2,1-3H3
InChIKeyJSBMBHQGLQBVSA-UHFFFAOYSA-N
XLogP4.92
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine with MolForge

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine
CID 110194315
N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine
CID 110194317
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine
CID 110194299
N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine
CID 133430235
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
N-butyl-N-ethylquinazolin-4-amine
CID 110433588
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211

Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine (CID 110194319) is N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine is COc1ccc(CN(CCCN(C)C)c2ncnc3ccccc23)cc1OC1CCCC1.
What is the InChIKey of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine?
The InChIKey is JSBMBHQGLQBVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-29(2)15-8-16-30(26-22-11-6-7-12-23(22)27-19-28-26)18-20-13-14-24(31-3)25(17-20)32-21-9-4-5-10-21/h6-7,11-14,17,19,21H,4-5,8-10,15-16,18H2,1-3H3.
What are the key properties of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine?
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine has a molecular weight of 434.58 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 110194319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).