(2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide

C32H28N4O4 — CID 163355804

IUPAC(2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c(-c2ccc(OC)cc2)oc2c1ccc1cccnc12
InChIInChI=1S/C32H28N4O4/c1-33-32(38)27(16-21-18-35-26-8-4-3-7-23(21)26)36-28(37)17-25-24-14-11-19-6-5-15-34-29(19)31(24)40-30(25)20-9-12-22(39-2)13-10-20/h3-15,18,27,35H,16-17H2,1-2H3,(H,33,38)(H,36,37)/t27-/m1/s1
InChIKeyAYHQGUFDUUVMMS-HHHXNRCGSA-N
MW532.60 g/mol
LogP5.15
Rot. Bonds8

About (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide

(2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide (PubChem CID 163355804) has the molecular formula C32H28N4O4 and a molecular weight of 532.60 g/mol. Its IUPAC name is (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide
PubChem CID163355804
Molecular FormulaC32H28N4O4
Molecular Weight532.60 g/mol
Exact Mass532.21
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c(-c2ccc(OC)cc2)oc2c1ccc1cccnc12
InChIInChI=1S/C32H28N4O4/c1-33-32(38)27(16-21-18-35-26-8-4-3-7-23(21)26)36-28(37)17-25-24-14-11-19-6-5-15-34-29(19)31(24)40-30(25)20-9-12-22(39-2)13-10-20/h3-15,18,27,35H,16-17H2,1-2H3,(H,33,38)(H,36,37)/t27-/m1/s1
InChIKeyAYHQGUFDUUVMMS-HHHXNRCGSA-N
XLogP5.15
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 155486693
(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
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2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
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CID 51519783
N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 7596511
ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 144733138
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamate
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CID 97233892
(2S)-3-(1H-indol-3-yl)-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-(methylsulfonylmethylsulfonylamino)propanamide
CID 175597189
(2S)-2-[[2-[(E)-[(5S)-2,3-dihydroxy-5-methoxy-6-methylheptan-4-ylidene]amino]oxyacetyl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide (CID 163355804) is (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide is CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c(-c2ccc(OC)cc2)oc2c1ccc1cccnc12.
What is the InChIKey of (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide?
The InChIKey is AYHQGUFDUUVMMS-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H28N4O4/c1-33-32(38)27(16-21-18-35-26-8-4-3-7-23(21)26)36-28(37)17-25-24-14-11-19-6-5-15-34-29(19)31(24)40-30(25)20-9-12-22(39-2)13-10-20/h3-15,18,27,35H,16-17H2,1-2H3,(H,33,38)(H,36,37)/t27-/m1/s1.
What are the key properties of (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide?
(2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide has a molecular weight of 532.60 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 163355804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).