N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine

C23H30N4O4 — CID 110194317

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ncnc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C23H30N4O4/c1-26(2)9-10-27(14-16-7-8-19(28-3)20(11-16)29-4)23-17-12-21(30-5)22(31-6)13-18(17)24-15-25-23/h7-8,11-13,15H,9-10,14H2,1-6H3
InChIKeyVWTDCSMNFSFLFT-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.23
Rot. Bonds10

About N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine

N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 110194317) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID110194317
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ncnc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C23H30N4O4/c1-26(2)9-10-27(14-16-7-8-19(28-3)20(11-16)29-4)23-17-12-21(30-5)22(31-6)13-18(17)24-15-25-23/h7-8,11-13,15H,9-10,14H2,1-6H3
InChIKeyVWTDCSMNFSFLFT-UHFFFAOYSA-N
XLogP3.23
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-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-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine
CID 110194319
6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
CID 87867120
6,7-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171702605
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 133492287
N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine
CID 133430235
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 133423616
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
CID 133383927
3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol
CID 127034132
1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea
CID 59268644
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine (CID 110194317) is N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine is COc1ccc(CN(CCN(C)C)c2ncnc3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is VWTDCSMNFSFLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-26(2)9-10-27(14-16-7-8-19(28-3)20(11-16)29-4)23-17-12-21(30-5)22(31-6)13-18(17)24-15-25-23/h7-8,11-13,15H,9-10,14H2,1-6H3.
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine?
N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 426.52 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)methyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 110194317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).