5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

C22H23ClN2O4 — CID 130205800

IUPAC5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(OCCCO)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C22H23ClN2O4/c1-3-25(15-9-5-4-6-10-15)22(28)19-20(29-14-8-13-26)18-16(23)11-7-12-17(18)24(2)21(19)27/h4-7,9-12,26H,3,8,13-14H2,1-2H3
InChIKeyISGJIOVHVNOCEK-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.62
Rot. Bonds7

About 5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 130205800) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID130205800
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(OCCCO)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C22H23ClN2O4/c1-3-25(15-9-5-4-6-10-15)22(28)19-20(29-14-8-13-26)18-16(23)11-7-12-17(18)24(2)21(19)27/h4-7,9-12,26H,3,8,13-14H2,1-2H3
InChIKeyISGJIOVHVNOCEK-UHFFFAOYSA-N
XLogP3.62
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 130205800) is 5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is CCN(C(=O)c1c(OCCCO)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of 5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is ISGJIOVHVNOCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-3-25(15-9-5-4-6-10-15)22(28)19-20(29-14-8-13-26)18-16(23)11-7-12-17(18)24(2)21(19)27/h4-7,9-12,26H,3,8,13-14H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 130205800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).