7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid

C15H11NO4 — CID 66667329

IUPAC7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid
SMILESCC(=O)c1cc(O)c2c(C(=O)O)c3ccccc3n2c1
InChIInChI=1S/C15H11NO4/c1-8(17)9-6-12(18)14-13(15(19)20)10-4-2-3-5-11(10)16(14)7-9/h2-7,18H,1H3,(H,19,20)
InChIKeyHXXZMVVDAAXGCB-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.70
Rot. Bonds2

About 7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid

7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid (PubChem CID 66667329) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid
PubChem CID66667329
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid
SMILESCC(=O)c1cc(O)c2c(C(=O)O)c3ccccc3n2c1
InChIInChI=1S/C15H11NO4/c1-8(17)9-6-12(18)14-13(15(19)20)10-4-2-3-5-11(10)16(14)7-9/h2-7,18H,1H3,(H,19,20)
InChIKeyHXXZMVVDAAXGCB-UHFFFAOYSA-N
XLogP2.70
TPSA79.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid
CID 66667738
7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid
CID 66667656
7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid
CID 87097230
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
7-acetyl-N-[2-(dimethylamino)ethyl]-N-methylpyrido[1,2-a]indole-10-carboxamide
CID 66667158
1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone
CID 10684381
7-acetyl-N-[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-10-carboxamide
CID 66666858
7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid
CID 66667017
5-oxo-4H-pyrrolo[1,2-a]quinazoline-2-carboxylic acid
CID 71231586
2-bromo-1-methylindole-3-carboxylic acid
CID 10800903
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid
CID 91690277

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid (CID 66667329) is 7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid is CC(=O)c1cc(O)c2c(C(=O)O)c3ccccc3n2c1.
What is the InChIKey of 7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid?
The InChIKey is HXXZMVVDAAXGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-8(17)9-6-12(18)14-13(15(19)20)10-4-2-3-5-11(10)16(14)7-9/h2-7,18H,1H3,(H,19,20).
What are the key properties of 7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid?
7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 66667329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).