5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

C25H28ClN3O6 — CID 145349724

IUPAC5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(OCOC(O)N2CCOCC2)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C25H28ClN3O6/c1-3-29(17-8-5-4-6-9-17)24(31)21-22(34-16-35-25(32)28-12-14-33-15-13-28)20-18(26)10-7-11-19(20)27(2)23(21)30/h4-11,25,32H,3,12-16H2,1-2H3
InChIKeyJHCWWKVWHKZCIV-UHFFFAOYSA-N
MW501.97 g/mol
LogP2.82
Rot. Bonds8

About 5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 145349724) has the molecular formula C25H28ClN3O6 and a molecular weight of 501.97 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID145349724
Molecular FormulaC25H28ClN3O6
Molecular Weight501.97 g/mol
Exact Mass501.17
IUPAC Name5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(OCOC(O)N2CCOCC2)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C25H28ClN3O6/c1-3-29(17-8-5-4-6-9-17)24(31)21-22(34-16-35-25(32)28-12-14-33-15-13-28)20-18(26)10-7-11-19(20)27(2)23(21)30/h4-11,25,32H,3,12-16H2,1-2H3
InChIKeyJHCWWKVWHKZCIV-UHFFFAOYSA-N
XLogP2.82
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.97
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 145349724) is 5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is CCN(C(=O)c1c(OCOC(O)N2CCOCC2)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of 5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is JHCWWKVWHKZCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O6/c1-3-29(17-8-5-4-6-9-17)24(31)21-22(34-16-35-25(32)28-12-14-33-15-13-28)20-18(26)10-7-11-19(20)27(2)23(21)30/h4-11,25,32H,3,12-16H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 501.97 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 145349724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).