2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid

C18H16N2O2 — CID 134103584

IUPAC2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCN2)nc2cc3ccccc3cc12
InChIInChI=1S/C18H16N2O2/c21-18(22)14-10-17(15-6-3-7-19-15)20-16-9-12-5-2-1-4-11(12)8-13(14)16/h1-2,4-5,8-10,15,19H,3,6-7H2,(H,21,22)
InChIKeyASLNRVUCHMBNDA-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.51
Rot. Bonds2

About 2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid

2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid (PubChem CID 134103584) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid
PubChem CID134103584
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCN2)nc2cc3ccccc3cc12
InChIInChI=1S/C18H16N2O2/c21-18(22)14-10-17(15-6-3-7-19-15)20-16-9-12-5-2-1-4-11(12)8-13(14)16/h1-2,4-5,8-10,15,19H,3,6-7H2,(H,21,22)
InChIKeyASLNRVUCHMBNDA-UHFFFAOYSA-N
XLogP3.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641748
6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641479
2-(4-pyrrolidin-2-ylphenyl)benzoic acid
CID 110162717
4-methoxy-2-pyrrolidin-2-ylquinoline
CID 3320463
3-piperidin-2-ylisoquinoline
CID 84782420
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
CID 97046760
2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 66519029
(2S)-2-phenylpiperidine
CID 10997356
2-phenyl-4-[(2R)-piperidin-2-yl]quinoline
CID 7144282
2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115028763

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid?
The IUPAC name of 2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid (CID 134103584) is 2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid?
The canonical SMILES for 2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid is O=C(O)c1cc(C2CCCN2)nc2cc3ccccc3cc12.
What is the InChIKey of 2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid?
The InChIKey is ASLNRVUCHMBNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(22)14-10-17(15-6-3-7-19-15)20-16-9-12-5-2-1-4-11(12)8-13(14)16/h1-2,4-5,8-10,15,19H,3,6-7H2,(H,21,22).
What are the key properties of 2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid?
2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid is sourced from PubChem (CID 134103584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).