N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide

C19H26N2O3 — CID 33220870

IUPACN-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCCCCOCCCNC(=O)c1cc2cc(OC)ccc2nc1C
InChIInChI=1S/C19H26N2O3/c1-4-5-10-24-11-6-9-20-19(22)17-13-15-12-16(23-3)7-8-18(15)21-14(17)2/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,20,22)
InChIKeyNJONNCGCAMXTMU-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.49
Rot. Bonds9

About N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide

N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 33220870) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide
PubChem CID33220870
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCCCCOCCCNC(=O)c1cc2cc(OC)ccc2nc1C
InChIInChI=1S/C19H26N2O3/c1-4-5-10-24-11-6-9-20-19(22)17-13-15-12-16(23-3)7-8-18(15)21-14(17)2/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,20,22)
InChIKeyNJONNCGCAMXTMU-UHFFFAOYSA-N
XLogP3.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide (CID 33220870) is N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide is CCCCOCCCNC(=O)c1cc2cc(OC)ccc2nc1C.
What is the InChIKey of N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is NJONNCGCAMXTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-5-10-24-11-6-9-20-19(22)17-13-15-12-16(23-3)7-8-18(15)21-14(17)2/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,20,22).
What are the key properties of N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide?
N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 33220870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).