1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid

C19H26N2O5 — CID 71193577

IUPAC1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)n1cc(C(=O)O)c(=O)c2cc(CCCCOCCCO)ccc21
InChIInChI=1S/C19H26N2O5/c1-20(2)21-13-16(19(24)25)18(23)15-12-14(7-8-17(15)21)6-3-4-10-26-11-5-9-22/h7-8,12-13,22H,3-6,9-11H2,1-2H3,(H,24,25)
InChIKeyMSOPECPDTNZIJM-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.62
Rot. Bonds10

About 1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid

1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 71193577) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID71193577
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)n1cc(C(=O)O)c(=O)c2cc(CCCCOCCCO)ccc21
InChIInChI=1S/C19H26N2O5/c1-20(2)21-13-16(19(24)25)18(23)15-12-14(7-8-17(15)21)6-3-4-10-26-11-5-9-22/h7-8,12-13,22H,3-6,9-11H2,1-2H3,(H,24,25)
InChIKeyMSOPECPDTNZIJM-UHFFFAOYSA-N
XLogP1.62
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid (CID 71193577) is 1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid is CN(C)n1cc(C(=O)O)c(=O)c2cc(CCCCOCCCO)ccc21.
What is the InChIKey of 1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MSOPECPDTNZIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-20(2)21-13-16(19(24)25)18(23)15-12-14(7-8-17(15)21)6-3-4-10-26-11-5-9-22/h7-8,12-13,22H,3-6,9-11H2,1-2H3,(H,24,25).
What are the key properties of 1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid?
1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 1.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 71193577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).