N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one

C40H36Cl2FN5O5 — CID 159835622

IUPACN-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one
SMILESCCCC1C(=O)C2=C(C(CC)=NC2C)c2nc(OC)ccc21.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H14Cl2FN3O3.C18H22N2O2/c23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19;1-5-7-12-11-8-9-14(22-4)20-17(11)16-13(6-2)19-10(3)15(16)18(12)21/h1-9,11,29H,10H2,(H,26,27,31);8-10,12H,5-7H2,1-4H3
InChIKeyNOALJYUZVMAVDW-UHFFFAOYSA-N
MW756.66 g/mol
LogP8.62
Rot. Bonds9

About N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one

N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one (PubChem CID 159835622) has the molecular formula C40H36Cl2FN5O5 and a molecular weight of 756.66 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one
PubChem CID159835622
Molecular FormulaC40H36Cl2FN5O5
Molecular Weight756.66 g/mol
Exact Mass755.21
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one
SMILESCCCC1C(=O)C2=C(C(CC)=NC2C)c2nc(OC)ccc21.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H14Cl2FN3O3.C18H22N2O2/c23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19;1-5-7-12-11-8-9-14(22-4)20-17(11)16-13(6-2)19-10(3)15(16)18(12)21/h1-9,11,29H,10H2,(H,26,27,31);8-10,12H,5-7H2,1-4H3
InChIKeyNOALJYUZVMAVDW-UHFFFAOYSA-N
XLogP8.62
TPSA135.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.66
LogP ≤ 58.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one (CID 159835622) is N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one is CCCC1C(=O)C2=C(C(CC)=NC2C)c2nc(OC)ccc21.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one?
The InChIKey is NOALJYUZVMAVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN3O3.C18H22N2O2/c23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19;1-5-7-12-11-8-9-14(22-4)20-17(11)16-13(6-2)19-10(3)15(16)18(12)21/h1-9,11,29H,10H2,(H,26,27,31);8-10,12H,5-7H2,1-4H3.
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one?
N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one has a molecular weight of 756.66 g/mol, XLogP of 8.62, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;9-ethyl-2-methoxy-7-methyl-5-propyl-5,7-dihydropyrrolo[3,4-h]quinolin-6-one is sourced from PubChem (CID 159835622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).