2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide

C30H26N4O2 — CID 18409865

IUPAC2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide
SMILESO=C(NCc1cnc2ccccc2c1)C(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1
InChIInChI=1S/C30H26N4O2/c35-30(34-17-20-13-21-7-1-4-10-26(21)31-16-20)28(15-23-18-32-27-11-5-3-9-25(23)27)33-19-24-14-22-8-2-6-12-29(22)36-24/h1-14,16,18,28,32-33H,15,17,19H2,(H,34,35)
InChIKeyJEWQBWCZZDQUBC-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.48
Rot. Bonds8

About 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide

2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide (PubChem CID 18409865) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide
PubChem CID18409865
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC Name2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide
SMILESO=C(NCc1cnc2ccccc2c1)C(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1
InChIInChI=1S/C30H26N4O2/c35-30(34-17-20-13-21-7-1-4-10-26(21)31-16-20)28(15-23-18-32-27-11-5-3-9-25(23)27)33-19-24-14-22-8-2-6-12-29(22)36-24/h1-14,16,18,28,32-33H,15,17,19H2,(H,34,35)
InChIKeyJEWQBWCZZDQUBC-UHFFFAOYSA-N
XLogP5.48
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzofuran-2-ylmethylamino)-N-[(2,5-dichlorothiophen-3-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 18409844
2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide
CID 18409629
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 57149915
2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 18409526
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
1-benzofuran-2-carboxylic acid;2-(1-benzofuran-2-yl)ethanol;2-[2-(1-benzofuran-2-yl)ethylamino]-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide;molecular hydrogen
CID 159172090
N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 15104627
CID 159282439
CID 159282439
2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 78790797
2-(1-benzofuran-2-ylmethylamino)-N-[(2,4-diaminopyrimidin-5-yl)methyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 18409662
2-(1-benzofuran-2-ylmethylamino)-N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 18409679
(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoic acid
CID 11483261

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide?
The IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide (CID 18409865) is 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide is O=C(NCc1cnc2ccccc2c1)C(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide?
The InChIKey is JEWQBWCZZDQUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c35-30(34-17-20-13-21-7-1-4-10-26(21)31-16-20)28(15-23-18-32-27-11-5-3-9-25(23)27)33-19-24-14-22-8-2-6-12-29(22)36-24/h1-14,16,18,28,32-33H,15,17,19H2,(H,34,35).
What are the key properties of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide?
2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide has a molecular weight of 474.56 g/mol, XLogP of 5.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide is sourced from PubChem (CID 18409865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).