N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide

C56H50N6O6 — CID 157392166

IUPACN-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(c1ccccc1)c1cc(-n2cccc2)c2cccnc2c1O.O=C(COc1ccccc1)NC(c1ccccc1)c1cc(N2CCCC2)c2cccnc2c1O
InChIInChI=1S/C28H27N3O3.C28H23N3O3/c2*32-25(19-34-21-12-5-2-6-13-21)30-26(20-10-3-1-4-11-20)23-18-24(31-16-7-8-17-31)22-14-9-15-29-27(22)28(23)33/h1-6,9-15,18,26,33H,7-8,16-17,19H2,(H,30,32);1-18,26,33H,19H2,(H,30,32)
InChIKeyBMDFBPBHDRNXMY-UHFFFAOYSA-N
MW903.05 g/mol
LogP9.84
Rot. Bonds14

About N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide

N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide (PubChem CID 157392166) has the molecular formula C56H50N6O6 and a molecular weight of 903.05 g/mol. Its IUPAC name is N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
PubChem CID157392166
Molecular FormulaC56H50N6O6
Molecular Weight903.05 g/mol
Exact Mass902.38
IUPAC NameN-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(c1ccccc1)c1cc(-n2cccc2)c2cccnc2c1O.O=C(COc1ccccc1)NC(c1ccccc1)c1cc(N2CCCC2)c2cccnc2c1O
InChIInChI=1S/C28H27N3O3.C28H23N3O3/c2*32-25(19-34-21-12-5-2-6-13-21)30-26(20-10-3-1-4-11-20)23-18-24(31-16-7-8-17-31)22-14-9-15-29-27(22)28(23)33/h1-6,9-15,18,26,33H,7-8,16-17,19H2,(H,30,32);1-18,26,33H,19H2,(H,30,32)
InChIKeyBMDFBPBHDRNXMY-UHFFFAOYSA-N
XLogP9.84
TPSA151.07 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.05
LogP ≤ 59.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide?
The IUPAC name of N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide (CID 157392166) is N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC(c1ccccc1)c1cc(-n2cccc2)c2cccnc2c1O.O=C(COc1ccccc1)NC(c1ccccc1)c1cc(N2CCCC2)c2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide?
The InChIKey is BMDFBPBHDRNXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3.C28H23N3O3/c2*32-25(19-34-21-12-5-2-6-13-21)30-26(20-10-3-1-4-11-20)23-18-24(31-16-7-8-17-31)22-14-9-15-29-27(22)28(23)33/h1-6,9-15,18,26,33H,7-8,16-17,19H2,(H,30,32);1-18,26,33H,19H2,(H,30,32).
What are the key properties of N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide?
N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide has a molecular weight of 903.05 g/mol, XLogP of 9.84, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide is sourced from PubChem (CID 157392166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).