6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid

C12H12N2O2 — CID 96611218

IUPAC6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc2ccc3c(c2[nH]1)NCCC3
InChIInChI=1S/C12H12N2O2/c15-12(16)9-6-8-4-3-7-2-1-5-13-10(7)11(8)14-9/h3-4,6,13-14H,1-2,5H2,(H,15,16)
InChIKeyUFERTPZZUSTWDS-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.22
Rot. Bonds1

About 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid

6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid (PubChem CID 96611218) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid
PubChem CID96611218
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc2ccc3c(c2[nH]1)NCCC3
InChIInChI=1S/C12H12N2O2/c15-12(16)9-6-8-4-3-7-2-1-5-13-10(7)11(8)14-9/h3-4,6,13-14H,1-2,5H2,(H,15,16)
InChIKeyUFERTPZZUSTWDS-UHFFFAOYSA-N
XLogP2.22
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid with MolForge

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Related Compounds

7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205
1H-benzo[g]indole-2-carboxylic acid
CID 645288
1H-benzo[g]indole-2,7,9-tricarboxylic acid
CID 67524541
8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline
CID 15402109
6-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
CID 67893760
7,8-dibromo-1,2,3,4-tetrahydroquinoline
CID 70471236
1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid
CID 12936177
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline
CID 129308037
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
CID 58753408
5,7-dimethoxy-1H-indole-2-carboxylic acid
CID 7131354

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid?
The IUPAC name of 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid (CID 96611218) is 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid.
What is the SMILES notation for 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid?
The canonical SMILES for 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid is O=C(O)c1cc2ccc3c(c2[nH]1)NCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid?
The InChIKey is UFERTPZZUSTWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(16)9-6-8-4-3-7-2-1-5-13-10(7)11(8)14-9/h3-4,6,13-14H,1-2,5H2,(H,15,16).
What are the key properties of 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid?
6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid is sourced from PubChem (CID 96611218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).