N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine

C21H26N4O2 — CID 110194315

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ncnc3ccccc23)cc1OC
InChIInChI=1S/C21H26N4O2/c1-24(2)11-12-25(14-16-9-10-19(26-3)20(13-16)27-4)21-17-7-5-6-8-18(17)22-15-23-21/h5-10,13,15H,11-12,14H2,1-4H3
InChIKeyOMJXYTQSERKMDP-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.22
Rot. Bonds8

About N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine

N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine (PubChem CID 110194315) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine
PubChem CID110194315
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ncnc3ccccc23)cc1OC
InChIInChI=1S/C21H26N4O2/c1-24(2)11-12-25(14-16-9-10-19(26-3)20(13-16)27-4)21-17-7-5-6-8-18(17)22-15-23-21/h5-10,13,15H,11-12,14H2,1-4H3
InChIKeyOMJXYTQSERKMDP-UHFFFAOYSA-N
XLogP3.22
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine
CID 110194317
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine
CID 110194319
N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine
CID 133430235
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 163348860
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine
CID 126465938
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine (CID 110194315) is N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine is COc1ccc(CN(CCN(C)C)c2ncnc3ccccc23)cc1OC.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine?
The InChIKey is OMJXYTQSERKMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24(2)11-12-25(14-16-9-10-19(26-3)20(13-16)27-4)21-17-7-5-6-8-18(17)22-15-23-21/h5-10,13,15H,11-12,14H2,1-4H3.
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine?
N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine has a molecular weight of 366.47 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine is sourced from PubChem (CID 110194315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).