N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine

C26H24N4O2 — CID 3232949

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2nc(NCCc3c[nH]c4ccc(OC)cc34)c3ccccc3n2)c1
InChIInChI=1S/C26H24N4O2/c1-31-19-7-5-6-17(14-19)25-29-24-9-4-3-8-21(24)26(30-25)27-13-12-18-16-28-23-11-10-20(32-2)15-22(18)23/h3-11,14-16,28H,12-13H2,1-2H3,(H,27,29,30)
InChIKeyHLCYIWXIGHWUSQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.45
Rot. Bonds7

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 3232949) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID3232949
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2nc(NCCc3c[nH]c4ccc(OC)cc34)c3ccccc3n2)c1
InChIInChI=1S/C26H24N4O2/c1-31-19-7-5-6-17(14-19)25-29-24-9-4-3-8-21(24)26(30-25)27-13-12-18-16-28-23-11-10-20(32-2)15-22(18)23/h3-11,14-16,28H,12-13H2,1-2H3,(H,27,29,30)
InChIKeyHLCYIWXIGHWUSQ-UHFFFAOYSA-N
XLogP5.45
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine (CID 3232949) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(-c2nc(NCCc3c[nH]c4ccc(OC)cc34)c3ccccc3n2)c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is HLCYIWXIGHWUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-31-19-7-5-6-17(14-19)25-29-24-9-4-3-8-21(24)26(30-25)27-13-12-18-16-28-23-11-10-20(32-2)15-22(18)23/h3-11,14-16,28H,12-13H2,1-2H3,(H,27,29,30).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 424.50 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 3232949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).