7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide

C20H27N3O2 — CID 118780364

IUPAC7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)NCCCCN3CCCC3)cc(C)nc2c1
InChIInChI=1S/C20H27N3O2/c1-15-13-18(17-8-7-16(25-2)14-19(17)22-15)20(24)21-9-3-4-10-23-11-5-6-12-23/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,24)
InChIKeyIWLNDSJJLPFLKG-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.16
Rot. Bonds7

About 7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide

7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide (PubChem CID 118780364) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide
PubChem CID118780364
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)NCCCCN3CCCC3)cc(C)nc2c1
InChIInChI=1S/C20H27N3O2/c1-15-13-18(17-8-7-16(25-2)14-19(17)22-15)20(24)21-9-3-4-10-23-11-5-6-12-23/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,24)
InChIKeyIWLNDSJJLPFLKG-UHFFFAOYSA-N
XLogP3.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.16
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

2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
N-(2-aminoethyl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 119061251
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 119071112
7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide
CID 119059354
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide
CID 35418477
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443763
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide (CID 118780364) is 7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide is COc1ccc2c(C(=O)NCCCCN3CCCC3)cc(C)nc2c1.
What is the InChIKey of 7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide?
The InChIKey is IWLNDSJJLPFLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-13-18(17-8-7-16(25-2)14-19(17)22-15)20(24)21-9-3-4-10-23-11-5-6-12-23/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,24).
What are the key properties of 7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide?
7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide is sourced from PubChem (CID 118780364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).