N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine

C26H24N4O — CID 73053321

IUPACN-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine
SMILESCCc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
InChIInChI=1S/C26H24N4O/c1-3-20-16-19-12-7-8-14-22(19)30(20)26-28-24-21(13-9-15-23(24)31-2)25(29-26)27-17-18-10-5-4-6-11-18/h4-16H,3,17H2,1-2H3,(H,27,28,29)
InChIKeyWGQNSJLZSUZAOU-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.76
Rot. Bonds6

About N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine

N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine (PubChem CID 73053321) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine
PubChem CID73053321
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC NameN-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine
SMILESCCc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
InChIInChI=1S/C26H24N4O/c1-3-20-16-19-12-7-8-14-22(19)30(20)26-28-24-21(13-9-15-23(24)31-2)25(29-26)27-17-18-10-5-4-6-11-18/h4-16H,3,17H2,1-2H3,(H,27,28,29)
InChIKeyWGQNSJLZSUZAOU-UHFFFAOYSA-N
XLogP5.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine?
The IUPAC name of N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine (CID 73053321) is N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine is CCc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1.
What is the InChIKey of N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine?
The InChIKey is WGQNSJLZSUZAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-3-20-16-19-12-7-8-14-22(19)30(20)26-28-24-21(13-9-15-23(24)31-2)25(29-26)27-17-18-10-5-4-6-11-18/h4-16H,3,17H2,1-2H3,(H,27,28,29).
What are the key properties of N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine?
N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine has a molecular weight of 408.51 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-ethylindol-1-yl)-8-methoxyquinazolin-4-amine is sourced from PubChem (CID 73053321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).