4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid

C27H26N4O7 — CID 11329804

IUPAC4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid
SMILESO=C(NCC(O)CC(=O)N1CCOCC1C(=O)O)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C27H26N4O7/c32-18(12-24(33)31-7-8-38-14-23(31)27(36)37)13-28-25(34)16-5-6-21-17(9-16)11-22(29-21)19-10-15-3-1-2-4-20(15)30-26(19)35/h1-6,9-11,18,23,29,32H,7-8,12-14H2,(H,28,34)(H,30,35)(H,36,37)
InChIKeyOFTQPTKPWAMBSJ-UHFFFAOYSA-N
MW518.53 g/mol
LogP1.47
Rot. Bonds7

About 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid

4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid (PubChem CID 11329804) has the molecular formula C27H26N4O7 and a molecular weight of 518.53 g/mol. Its IUPAC name is 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid
PubChem CID11329804
Molecular FormulaC27H26N4O7
Molecular Weight518.53 g/mol
Exact Mass518.18
IUPAC Name4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid
SMILESO=C(NCC(O)CC(=O)N1CCOCC1C(=O)O)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C27H26N4O7/c32-18(12-24(33)31-7-8-38-14-23(31)27(36)37)13-28-25(34)16-5-6-21-17(9-16)11-22(29-21)19-10-15-3-1-2-4-20(15)30-26(19)35/h1-6,9-11,18,23,29,32H,7-8,12-14H2,(H,28,34)(H,30,35)(H,36,37)
InChIKeyOFTQPTKPWAMBSJ-UHFFFAOYSA-N
XLogP1.47
TPSA164.82 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.53
LogP ≤ 51.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide
CID 46935281
3-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668240
3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid
CID 11303467
[1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium
CID 20696588
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
(3S)-4-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125119311
3-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 136566373
4-[(3R,5S)-6-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3,5-dihydroxyhexanoyl]morpholine-3-carboxylic acid
CID 11341952
3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid
CID 143059369
(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
CID 124513582
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid (CID 11329804) is 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid is O=C(NCC(O)CC(=O)N1CCOCC1C(=O)O)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1.
What is the InChIKey of 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid?
The InChIKey is OFTQPTKPWAMBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O7/c32-18(12-24(33)31-7-8-38-14-23(31)27(36)37)13-28-25(34)16-5-6-21-17(9-16)11-22(29-21)19-10-15-3-1-2-4-20(15)30-26(19)35/h1-6,9-11,18,23,29,32H,7-8,12-14H2,(H,28,34)(H,30,35)(H,36,37).
What are the key properties of 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid?
4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid has a molecular weight of 518.53 g/mol, XLogP of 1.47, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 11329804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).