acetic acid;1H-indole;quinoline-2-carboxylic acid

C20H18N2O4 — CID 175370124

IUPACacetic acid;1H-indole;quinoline-2-carboxylic acid
SMILESCC(=O)O.O=C(O)c1ccc2ccccc2n1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C10H7NO2.C8H7N.C2H4O2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;1-2-4-8-7(3-1)5-6-9-8;1-2(3)4/h1-6H,(H,12,13);1-6,9H;1H3,(H,3,4)
InChIKeyNSCJNNPHSCXWDC-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.19
Rot. Bonds1

About acetic acid;1H-indole;quinoline-2-carboxylic acid

acetic acid;1H-indole;quinoline-2-carboxylic acid (PubChem CID 175370124) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is acetic acid;1H-indole;quinoline-2-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;1H-indole;quinoline-2-carboxylic acid
PubChem CID175370124
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Nameacetic acid;1H-indole;quinoline-2-carboxylic acid
SMILESCC(=O)O.O=C(O)c1ccc2ccccc2n1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C10H7NO2.C8H7N.C2H4O2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;1-2-4-8-7(3-1)5-6-9-8;1-2(3)4/h1-6H,(H,12,13);1-6,9H;1H3,(H,3,4)
InChIKeyNSCJNNPHSCXWDC-UHFFFAOYSA-N
XLogP4.19
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;bis(1H-indole)
CID 162014067
acetic acid;1H-indole
CID 67663544
copper;quinoline-2-carboxylic acid
CID 68537473
europium;quinoline-2-carboxylic acid
CID 87730482
potassium;hydride;quinoline-2-carboxylic acid
CID 174828478
methanesulfonic acid;quinoline-2-carboxylic acid;hydrate
CID 172686492
bis(1H-indole);methanol
CID 70305490
1H-indole;2-oxopropanoyl chloride
CID 143293579
manganese;bis(quinoline-2-carboxylic acid);benzoate
CID 139073952
1H-indole;oxalyl dichloride
CID 87707386
2-aminoacetic acid;1H-indole
CID 118109552
hydroxyurea;1H-indole
CID 19379049

Frequently Asked Questions

What is the IUPAC name of acetic acid;1H-indole;quinoline-2-carboxylic acid?
The IUPAC name of acetic acid;1H-indole;quinoline-2-carboxylic acid (CID 175370124) is acetic acid;1H-indole;quinoline-2-carboxylic acid.
What is the SMILES notation for acetic acid;1H-indole;quinoline-2-carboxylic acid?
The canonical SMILES for acetic acid;1H-indole;quinoline-2-carboxylic acid is CC(=O)O.O=C(O)c1ccc2ccccc2n1.c1ccc2[nH]ccc2c1.
What is the InChIKey of acetic acid;1H-indole;quinoline-2-carboxylic acid?
The InChIKey is NSCJNNPHSCXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C8H7N.C2H4O2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;1-2-4-8-7(3-1)5-6-9-8;1-2(3)4/h1-6H,(H,12,13);1-6,9H;1H3,(H,3,4).
What are the key properties of acetic acid;1H-indole;quinoline-2-carboxylic acid?
acetic acid;1H-indole;quinoline-2-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 4.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1H-indole;quinoline-2-carboxylic acid is sourced from PubChem (CID 175370124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).