N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide

C20H21N3O2 — CID 155524051

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(O)ccc3n2c1
InChIInChI=1S/C20H21N3O2/c24-17-3-4-19-14(10-17)1-2-16-9-15(11-23(16)19)20(25)21-18-12-22-7-5-13(18)6-8-22/h1-4,9-11,13,18,24H,5-8,12H2,(H,21,25)/t18-/m0/s1
InChIKeyTXHVUPMCLAWYDM-SFHVURJKSA-N
MW335.41 g/mol
LogP2.62
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide (PubChem CID 155524051) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide
PubChem CID155524051
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(O)ccc3n2c1
InChIInChI=1S/C20H21N3O2/c24-17-3-4-19-14(10-17)1-2-16-9-15(11-23(16)19)20(25)21-18-12-22-7-5-13(18)6-8-22/h1-4,9-11,13,18,24H,5-8,12H2,(H,21,25)/t18-/m0/s1
InChIKeyTXHVUPMCLAWYDM-SFHVURJKSA-N
XLogP2.62
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide (CID 155524051) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(O)ccc3n2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide?
The InChIKey is TXHVUPMCLAWYDM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-17-3-4-19-14(10-17)1-2-16-9-15(11-23(16)19)20(25)21-18-12-22-7-5-13(18)6-8-22/h1-4,9-11,13,18,24H,5-8,12H2,(H,21,25)/t18-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide is sourced from PubChem (CID 155524051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).