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

C25H24N4O — CID 155512318

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(-c4ccncc4)ccc3n2c1
InChIInChI=1S/C25H24N4O/c30-25(27-23-16-28-11-7-18(23)8-12-28)21-14-22-3-1-20-13-19(17-5-9-26-10-6-17)2-4-24(20)29(22)15-21/h1-6,9-10,13-15,18,23H,7-8,11-12,16H2,(H,27,30)/t23-/m0/s1
InChIKeyROIKFRMAVWEHLZ-QHCPKHFHSA-N
MW396.49 g/mol
LogP3.98
Rot. Bonds3

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide (PubChem CID 155512318) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide
PubChem CID155512318
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(-c4ccncc4)ccc3n2c1
InChIInChI=1S/C25H24N4O/c30-25(27-23-16-28-11-7-18(23)8-12-28)21-14-22-3-1-20-13-19(17-5-9-26-10-6-17)2-4-24(20)29(22)15-21/h1-6,9-10,13-15,18,23H,7-8,11-12,16H2,(H,27,30)/t23-/m0/s1
InChIKeyROIKFRMAVWEHLZ-QHCPKHFHSA-N
XLogP3.98
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyrrolidin-1-ylpyrrolo[1,2-a]quinoline-2-carboxamide
CID 155532652
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pentan-3-yloxypyrrolo[1,2-a]quinoline-2-carboxamide
CID 155562225
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide
CID 155513565
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-tert-butylphenyl)indolizine-2-carboxamide
CID 127032420
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 23599504
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide
CID 141360952
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-bromoindolizine-6-carboxamide
CID 10172247
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide
CID 67326377
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 23599456
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide
CID 86272491
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide
CID 121494527

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide (CID 155512318) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(-c4ccncc4)ccc3n2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
The InChIKey is ROIKFRMAVWEHLZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24N4O/c30-25(27-23-16-28-11-7-18(23)8-12-28)21-14-22-3-1-20-13-19(17-5-9-26-10-6-17)2-4-24(20)29(22)15-21/h1-6,9-10,13-15,18,23H,7-8,11-12,16H2,(H,27,30)/t23-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.98, 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-pyridin-4-ylpyrrolo[1,2-a]quinoline-2-carboxamide is sourced from PubChem (CID 155512318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).