6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

C19H20ClN3O4 — CID 71284408

IUPAC6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3c(c2)cc2n3CC(N)C2)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C19H19N3O4.ClH/c1-2-13-16(21-18(24)15(17(13)23)19(25)26)9-3-4-14-10(5-9)6-12-7-11(20)8-22(12)14;/h3-6,11H,2,7-8,20H2,1H3,(H,25,26)(H2,21,23,24);1H
InChIKeyQYUDRUHPUBHJAY-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.27
Rot. Bonds3

About 6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 71284408) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
PubChem CID71284408
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3c(c2)cc2n3CC(N)C2)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C19H19N3O4.ClH/c1-2-13-16(21-18(24)15(17(13)23)19(25)26)9-3-4-14-10(5-9)6-12-7-11(20)8-22(12)14;/h3-6,11H,2,7-8,20H2,1H3,(H,25,26)(H2,21,23,24);1H
InChIKeyQYUDRUHPUBHJAY-UHFFFAOYSA-N
XLogP2.27
TPSA121.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (CID 71284408) is 6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is CCc1c(-c2ccc3c(c2)cc2n3CC(N)C2)[nH]c(=O)c(C(=O)O)c1O.Cl.
What is the InChIKey of 6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is QYUDRUHPUBHJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4.ClH/c1-2-13-16(21-18(24)15(17(13)23)19(25)26)9-3-4-14-10(5-9)6-12-7-11(20)8-22(12)14;/h3-6,11H,2,7-8,20H2,1H3,(H,25,26)(H2,21,23,24);1H.
What are the key properties of 6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 389.84 g/mol, XLogP of 2.27, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 71284408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).