N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine

C20H23N3O2 — CID 21002609

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
SMILESCCc1ccc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C20H23N3O2/c1-4-14-5-7-17-16(11-14)20(23-13-22-17)21-10-9-15-6-8-18(24-2)19(12-15)25-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,22,23)
InChIKeyAUXSZHQQIKXLPH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.86
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine (PubChem CID 21002609) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
PubChem CID21002609
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
SMILESCCc1ccc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C20H23N3O2/c1-4-14-5-7-17-16(11-14)20(23-13-22-17)21-10-9-15-6-8-18(24-2)19(12-15)25-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,22,23)
InChIKeyAUXSZHQQIKXLPH-UHFFFAOYSA-N
XLogP3.86
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 118302959
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 22541634
6-ethyl-N-(2-methoxyphenyl)quinazolin-4-amine
CID 21002616
2-[2-[(6-ethylquinazolin-4-yl)amino]ethoxy]ethanol
CID 21002673
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine (CID 21002609) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine is CCc1ccc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine?
The InChIKey is AUXSZHQQIKXLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-14-5-7-17-16(11-14)20(23-13-22-17)21-10-9-15-6-8-18(24-2)19(12-15)25-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,22,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine has a molecular weight of 337.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine is sourced from PubChem (CID 21002609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).