N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide

C20H25N3O2 — CID 100663266

IUPACN-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESC=CCCOCCNC(=O)c1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C20H25N3O2/c1-2-3-13-25-14-10-21-20(24)17-15-16-8-4-5-9-18(16)22-19(17)23-11-6-7-12-23/h2,4-5,8-9,15H,1,3,6-7,10-14H2,(H,21,24)
InChIKeyLWZNFHNNBDJYSV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.16
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide

N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide (PubChem CID 100663266) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide
PubChem CID100663266
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESC=CCCOCCNC(=O)c1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C20H25N3O2/c1-2-3-13-25-14-10-21-20(24)17-15-16-8-4-5-9-18(16)22-19(17)23-11-6-7-12-23/h2,4-5,8-9,15H,1,3,6-7,10-14H2,(H,21,24)
InChIKeyLWZNFHNNBDJYSV-UHFFFAOYSA-N
XLogP3.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
N-[(1-phenyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 99595468
N-(2-but-3-enoxyethyl)quinolin-2-amine
CID 103853670
N-[(1S,2S)-2-methylcyclohexyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 52515339
5-bromo-N-(2-but-3-enoxyethyl)-2-methylbenzamide
CID 103855682
2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
CID 114182874
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 111661790
N-(2-but-3-enoxyethyl)-1-chloroisoquinoline-4-carboxamide
CID 106832077
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 86886621
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56559807
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540241
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540018

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide (CID 100663266) is N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide is C=CCCOCCNC(=O)c1cc2ccccc2nc1N1CCCC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The InChIKey is LWZNFHNNBDJYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-3-13-25-14-10-21-20(24)17-15-16-8-4-5-9-18(16)22-19(17)23-11-6-7-12-23/h2,4-5,8-9,15H,1,3,6-7,10-14H2,(H,21,24).
What are the key properties of N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide?
N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-pyrrolidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 100663266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).