2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

C20H27N3O2 — CID 3051612

IUPAC2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESCCCCOc1cc(C(=O)NCCN2CCCC2)c2ccccc2n1
InChIInChI=1S/C20H27N3O2/c1-2-3-14-25-19-15-17(16-8-4-5-9-18(16)22-19)20(24)21-10-13-23-11-6-7-12-23/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H,21,24)
InChIKeyFJPJHMFAKBKUMJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.24
Rot. Bonds8

About 2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 3051612) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID3051612
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESCCCCOc1cc(C(=O)NCCN2CCCC2)c2ccccc2n1
InChIInChI=1S/C20H27N3O2/c1-2-3-14-25-19-15-17(16-8-4-5-9-18(16)22-19)20(24)21-10-13-23-11-6-7-12-23/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H,21,24)
InChIKeyFJPJHMFAKBKUMJ-UHFFFAOYSA-N
XLogP3.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.24
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

Dibucaine
CID 3025
Piboserod
CID 177336
Dibucaine Hydrochloride
CID 521951
Bms-561392
CID 9847838
(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CID 6914621
CP-457920
CID 9831581
4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(4-ethoxyphenyl)quinoline
CID 3241312
2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole
CID 44158435
KF 17643
CID 132697
N-(((S)-Hydroxycarbamoyl)-{(R)-1-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-2-oxo-pyrrolidin-3-yl}-methyl)-benzamide
CID 9936625
(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 10276473
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 3051612) is 2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is CCCCOc1cc(C(=O)NCCN2CCCC2)c2ccccc2n1.
What is the InChIKey of 2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is FJPJHMFAKBKUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-3-14-25-19-15-17(16-8-4-5-9-18(16)22-19)20(24)21-10-13-23-11-6-7-12-23/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H,21,24).
What are the key properties of 2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 3051612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).