N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine

C20H20N4O — CID 167786298

IUPACN-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine
SMILESCOCC(Nc1ncnc2cccc(C)c12)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H20N4O/c1-13-4-3-5-17-19(13)20(23-12-22-17)24-18(11-25-2)14-6-7-16-15(10-14)8-9-21-16/h3-10,12,18,21H,11H2,1-2H3,(H,22,23,24)
InChIKeyAUZIYARHXYNVBU-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.22
Rot. Bonds5

About N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine

N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine (PubChem CID 167786298) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine
PubChem CID167786298
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine
SMILESCOCC(Nc1ncnc2cccc(C)c12)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H20N4O/c1-13-4-3-5-17-19(13)20(23-12-22-17)24-18(11-25-2)14-6-7-16-15(10-14)8-9-21-16/h3-10,12,18,21H,11H2,1-2H3,(H,22,23,24)
InChIKeyAUZIYARHXYNVBU-UHFFFAOYSA-N
XLogP4.22
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine?
The IUPAC name of N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine (CID 167786298) is N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine.
What is the SMILES notation for N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine?
The canonical SMILES for N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine is COCC(Nc1ncnc2cccc(C)c12)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine?
The InChIKey is AUZIYARHXYNVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-13-4-3-5-17-19(13)20(23-12-22-17)24-18(11-25-2)14-6-7-16-15(10-14)8-9-21-16/h3-10,12,18,21H,11H2,1-2H3,(H,22,23,24).
What are the key properties of N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine?
N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine has a molecular weight of 332.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-5-yl)-2-methoxyethyl]-5-methylquinazolin-4-amine is sourced from PubChem (CID 167786298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).