N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

C20H23N3O2 — CID 42749642

IUPACN-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cccn2C)nc2ccc(C)cc12
InChIInChI=1S/C20H23N3O2/c1-14-7-8-17-15(12-14)16(20(24)21-9-5-11-25-3)13-18(22-17)19-6-4-10-23(19)2/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,21,24)
InChIKeyIJDLYMBJROPEMY-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.32
Rot. Bonds6

About N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (PubChem CID 42749642) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
PubChem CID42749642
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cccn2C)nc2ccc(C)cc12
InChIInChI=1S/C20H23N3O2/c1-14-7-8-17-15(12-14)16(20(24)21-9-5-11-25-3)13-18(22-17)19-6-4-10-23(19)2/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,21,24)
InChIKeyIJDLYMBJROPEMY-UHFFFAOYSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.32
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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Related Compounds

6-methyl-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749636
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3616650
6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750100
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 19511666
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 4563440
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
CID 3625064
6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750067

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (CID 42749642) is N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is COCCCNC(=O)c1cc(-c2cccn2C)nc2ccc(C)cc12.
What is the InChIKey of N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The InChIKey is IJDLYMBJROPEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-7-8-17-15(12-14)16(20(24)21-9-5-11-25-3)13-18(22-17)19-6-4-10-23(19)2/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,21,24).
What are the key properties of N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 42749642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).