N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide

C26H26N4O — CID 155528100

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide
SMILESCc1cc(-c2ccc3c(ccc4cc(C(=O)N[C@H]5CN6CCC5CC6)cn43)c2)ccn1
InChIInChI=1S/C26H26N4O/c1-17-12-20(6-9-27-17)19-3-5-25-21(13-19)2-4-23-14-22(15-30(23)25)26(31)28-24-16-29-10-7-18(24)8-11-29/h2-6,9,12-15,18,24H,7-8,10-11,16H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeyVBVQDXPHCOKULE-DEOSSOPVSA-N
MW410.52 g/mol
LogP4.29
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide (PubChem CID 155528100) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide
PubChem CID155528100
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide
SMILESCc1cc(-c2ccc3c(ccc4cc(C(=O)N[C@H]5CN6CCC5CC6)cn43)c2)ccn1
InChIInChI=1S/C26H26N4O/c1-17-12-20(6-9-27-17)19-3-5-25-21(13-19)2-4-23-14-22(15-30(23)25)26(31)28-24-16-29-10-7-18(24)8-11-29/h2-6,9,12-15,18,24H,7-8,10-11,16H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeyVBVQDXPHCOKULE-DEOSSOPVSA-N
XLogP4.29
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide (CID 155528100) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide is Cc1cc(-c2ccc3c(ccc4cc(C(=O)N[C@H]5CN6CCC5CC6)cn43)c2)ccn1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide?
The InChIKey is VBVQDXPHCOKULE-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26N4O/c1-17-12-20(6-9-27-17)19-3-5-25-21(13-19)2-4-23-14-22(15-30(23)25)26(31)28-24-16-29-10-7-18(24)8-11-29/h2-6,9,12-15,18,24H,7-8,10-11,16H2,1H3,(H,28,31)/t24-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.29, 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-(2-methyl-4-pyridinyl)pyrrolo[1,2-a]quinoline-2-carboxamide is sourced from PubChem (CID 155528100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).