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

C24H23N3OS — CID 155553105

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(-c4ccsc4)ccc3n2c1
InChIInChI=1S/C24H23N3OS/c28-24(25-22-14-26-8-5-16(22)6-9-26)20-12-21-3-1-18-11-17(19-7-10-29-15-19)2-4-23(18)27(21)13-20/h1-4,7,10-13,15-16,22H,5-6,8-9,14H2,(H,25,28)/t22-/m0/s1
InChIKeyGWAHMUKAKVRQHQ-QFIPXVFZSA-N
MW401.54 g/mol
LogP4.64
Rot. Bonds3

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide (PubChem CID 155553105) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide
PubChem CID155553105
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(-c4ccsc4)ccc3n2c1
InChIInChI=1S/C24H23N3OS/c28-24(25-22-14-26-8-5-16(22)6-9-26)20-12-21-3-1-18-11-17(19-7-10-29-15-19)2-4-23(18)27(21)13-20/h1-4,7,10-13,15-16,22H,5-6,8-9,14H2,(H,25,28)/t22-/m0/s1
InChIKeyGWAHMUKAKVRQHQ-QFIPXVFZSA-N
XLogP4.64
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.64
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-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide (CID 155553105) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(-c4ccsc4)ccc3n2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
The InChIKey is GWAHMUKAKVRQHQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23N3OS/c28-24(25-22-14-26-8-5-16(22)6-9-26)20-12-21-3-1-18-11-17(19-7-10-29-15-19)2-4-23(18)27(21)13-20/h1-4,7,10-13,15-16,22H,5-6,8-9,14H2,(H,25,28)/t22-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 4.64, 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-thiophen-3-ylpyrrolo[1,2-a]quinoline-2-carboxamide is sourced from PubChem (CID 155553105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).