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

C23H20N4O2 — CID 3235472

IUPAC6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5ccoc5)cc34)c2c1
InChIInChI=1S/C23H20N4O2/c1-28-18-3-5-21-19(11-18)16(12-25-21)6-8-24-23-20-10-15(17-7-9-29-13-17)2-4-22(20)26-14-27-23/h2-5,7,9-14,25H,6,8H2,1H3,(H,24,26,27)
InChIKeySJVJITRWOMJEOI-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.03
Rot. Bonds6

About 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine

6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine (PubChem CID 3235472) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
PubChem CID3235472
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5ccoc5)cc34)c2c1
InChIInChI=1S/C23H20N4O2/c1-28-18-3-5-21-19(11-18)16(12-25-21)6-8-24-23-20-10-15(17-7-9-29-13-17)2-4-22(20)26-14-27-23/h2-5,7,9-14,25H,6,8H2,1H3,(H,24,26,27)
InChIKeySJVJITRWOMJEOI-UHFFFAOYSA-N
XLogP5.03
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine (CID 3235472) is 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine is COc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5ccoc5)cc34)c2c1.
What is the InChIKey of 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is SJVJITRWOMJEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-28-18-3-5-21-19(11-18)16(12-25-21)6-8-24-23-20-10-15(17-7-9-29-13-17)2-4-22(20)26-14-27-23/h2-5,7,9-14,25H,6,8H2,1H3,(H,24,26,27).
What are the key properties of 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 384.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 3235472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).