3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid

C25H27N3O6 — CID 143059369

IUPAC3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid
SMILESO=C(O)CC(O)CC(O)CCNC(=O)c1ccc2cc(-c3cc4c([nH]c3=O)=CCCC=4)[nH]c2c1
InChIInChI=1S/C25H27N3O6/c29-17(12-18(30)13-23(31)32)7-8-26-24(33)16-6-5-15-10-22(27-21(15)11-16)19-9-14-3-1-2-4-20(14)28-25(19)34/h3-6,9-11,17-18,27,29-30H,1-2,7-8,12-13H2,(H,26,33)(H,28,34)(H,31,32)
InChIKeyLMMQBNJWXQVRST-UHFFFAOYSA-N
MW465.51 g/mol
LogP0.58
Rot. Bonds9

About 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid

3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid (PubChem CID 143059369) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid.

Molecular Properties

Compound Name3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid
PubChem CID143059369
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Name3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid
SMILESO=C(O)CC(O)CC(O)CCNC(=O)c1ccc2cc(-c3cc4c([nH]c3=O)=CCCC=4)[nH]c2c1
InChIInChI=1S/C25H27N3O6/c29-17(12-18(30)13-23(31)32)7-8-26-24(33)16-6-5-15-10-22(27-21(15)11-16)19-9-14-3-1-2-4-20(14)28-25(19)34/h3-6,9-11,17-18,27,29-30H,1-2,7-8,12-13H2,(H,26,33)(H,28,34)(H,31,32)
InChIKeyLMMQBNJWXQVRST-UHFFFAOYSA-N
XLogP0.58
TPSA155.51 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 50.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic 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-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid
CID 11303467
4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid
CID 11329804
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide
CID 11407953
1-[(3R,5R)-7-[[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-3H-benzimidazole-5-carbonyl]amino]-3,5-dihydroxyheptanoyl]pyrrolidine-3-carboxylic acid
CID 135494429
1-[(3R,5R)-7-[[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-3H-benzimidazole-5-carbonyl]amino]-3,5-dihydroxyheptanoyl]-3-hydroxypyrrolidine-2-carboxylic acid
CID 135431713
2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-N-[(3S,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]-3H-benzimidazole-5-carboxamide
CID 143059389
N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 111461088
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465
3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid
CID 72725647

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid?
The IUPAC name of 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid (CID 143059369) is 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid.
What is the SMILES notation for 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid?
The canonical SMILES for 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid is O=C(O)CC(O)CC(O)CCNC(=O)c1ccc2cc(-c3cc4c([nH]c3=O)=CCCC=4)[nH]c2c1.
What is the InChIKey of 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid?
The InChIKey is LMMQBNJWXQVRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c29-17(12-18(30)13-23(31)32)7-8-26-24(33)16-6-5-15-10-22(27-21(15)11-16)19-9-14-3-1-2-4-20(14)28-25(19)34/h3-6,9-11,17-18,27,29-30H,1-2,7-8,12-13H2,(H,26,33)(H,28,34)(H,31,32).
What are the key properties of 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid?
3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid has a molecular weight of 465.51 g/mol, XLogP of 0.58, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-7-[[2-(2-oxo-6,7-dihydro-1H-quinolin-3-yl)-1H-indole-6-carbonyl]amino]heptanoic acid is sourced from PubChem (CID 143059369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).