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

C24H28N4O — CID 155532652

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(N4CCCC4)ccc3n2c1
InChIInChI=1S/C24H28N4O/c29-24(25-22-16-26-11-7-17(22)8-12-26)19-14-21-4-3-18-13-20(27-9-1-2-10-27)5-6-23(18)28(21)15-19/h3-6,13-15,17,22H,1-2,7-12,16H2,(H,25,29)/t22-/m0/s1
InChIKeyWMPNVHGDRQVGJO-QFIPXVFZSA-N
MW388.51 g/mol
LogP3.52
Rot. Bonds3

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide (PubChem CID 155532652) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide
PubChem CID155532652
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(N4CCCC4)ccc3n2c1
InChIInChI=1S/C24H28N4O/c29-24(25-22-16-26-11-7-17(22)8-12-26)19-14-21-4-3-18-13-20(27-9-1-2-10-27)5-6-23(18)28(21)15-19/h3-6,13-15,17,22H,1-2,7-12,16H2,(H,25,29)/t22-/m0/s1
InChIKeyWMPNVHGDRQVGJO-QFIPXVFZSA-N
XLogP3.52
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

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CID 50902705
5-[2-[4-[2-(1~{h}-Indol-3-Yl)ethyl]piperazin-1-Yl]phenyl]-~{n}-(3-Pyrrolidin-1-Ylpropyl)pyridine-3-Carboxamide
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N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methyl-3-indolyl)-2-oxoacetamide
CID 6604789
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CID 25061924
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CID 53323199
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CID 70695517
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]quinoline-3-carboxamide
CID 86280005
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CID 168285355
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide (CID 155532652) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(N4CCCC4)ccc3n2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
The InChIKey is WMPNVHGDRQVGJO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24(25-22-16-26-11-7-17(22)8-12-26)19-14-21-4-3-18-13-20(27-9-1-2-10-27)5-6-23(18)28(21)15-19/h3-6,13-15,17,22H,1-2,7-12,16H2,(H,25,29)/t22-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 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-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide is sourced from PubChem (CID 155532652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).