5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid

C12H12N2O2 — CID 105469710

IUPAC5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc2nc3c(cc2[nH]1)CCCC3
InChIInChI=1S/C12H12N2O2/c15-12(16)11-6-10-9(14-11)5-7-3-1-2-4-8(7)13-10/h5-6,14H,1-4H2,(H,15,16)
InChIKeyZKTTVWBCGHTFKW-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.14
Rot. Bonds1

About 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid

5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid (PubChem CID 105469710) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid
PubChem CID105469710
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc2nc3c(cc2[nH]1)CCCC3
InChIInChI=1S/C12H12N2O2/c15-12(16)11-6-10-9(14-11)5-7-3-1-2-4-8(7)13-10/h5-6,14H,1-4H2,(H,15,16)
InChIKeyZKTTVWBCGHTFKW-UHFFFAOYSA-N
XLogP2.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 164549036
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
5,6,7,8-tetrahydroacridine-2-carboxamide
CID 155319967
6-fluoro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 84718325
3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide
CID 82354697
6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2-carboxylic acid
CID 96601428
5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 83914864
1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid
CID 12936177
2-(4-bromophenoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62702572
2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703221

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid (CID 105469710) is 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid is O=C(O)c1cc2nc3c(cc2[nH]1)CCCC3.
What is the InChIKey of 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid?
The InChIKey is ZKTTVWBCGHTFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(16)11-6-10-9(14-11)5-7-3-1-2-4-8(7)13-10/h5-6,14H,1-4H2,(H,15,16).
What are the key properties of 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid?
5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid is sourced from PubChem (CID 105469710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).