2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C24H20ClN3O — CID 144566465

IUPAC2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1cccc(CC2CNC(=O)c3cc(-c4cccc5ccc(Cl)nc45)[nH]c32)c1
InChIInChI=1S/C24H20ClN3O/c1-14-4-2-5-15(10-14)11-17-13-26-24(29)19-12-20(27-23(17)19)18-7-3-6-16-8-9-21(25)28-22(16)18/h2-10,12,17,27H,11,13H2,1H3,(H,26,29)
InChIKeySOFIMNRDHRTHGY-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.26
Rot. Bonds3

About 2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 144566465) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID144566465
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1cccc(CC2CNC(=O)c3cc(-c4cccc5ccc(Cl)nc45)[nH]c32)c1
InChIInChI=1S/C24H20ClN3O/c1-14-4-2-5-15(10-14)11-17-13-26-24(29)19-12-20(27-23(17)19)18-7-3-6-16-8-9-21(25)28-22(16)18/h2-10,12,17,27H,11,13H2,1H3,(H,26,29)
InChIKeySOFIMNRDHRTHGY-UHFFFAOYSA-N
XLogP5.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 144566465) is 2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Cc1cccc(CC2CNC(=O)c3cc(-c4cccc5ccc(Cl)nc45)[nH]c32)c1.
What is the InChIKey of 2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is SOFIMNRDHRTHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-14-4-2-5-15(10-14)11-17-13-26-24(29)19-12-20(27-23(17)19)18-7-3-6-16-8-9-21(25)28-22(16)18/h2-10,12,17,27H,11,13H2,1H3,(H,26,29).
What are the key properties of 2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 401.90 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinolin-8-yl)-7-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 144566465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).