[2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone

C25H29N3O2 — CID 10179324

IUPAC[2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCNCCCOc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H29N3O2/c1-2-26-14-7-17-30-20-12-10-19(11-13-20)24-18-22(25(29)28-15-5-6-16-28)21-8-3-4-9-23(21)27-24/h3-4,8-13,18,26H,2,5-7,14-17H2,1H3
InChIKeyKEHGXNCFTJOKMM-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.52
Rot. Bonds8

About [2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone

[2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 10179324) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is [2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID10179324
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name[2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCNCCCOc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H29N3O2/c1-2-26-14-7-17-30-20-12-10-19(11-13-20)24-18-22(25(29)28-15-5-6-16-28)21-8-3-4-9-23(21)27-24/h3-4,8-13,18,26H,2,5-7,14-17H2,1H3
InChIKeyKEHGXNCFTJOKMM-UHFFFAOYSA-N
XLogP4.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.52
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-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5093684
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
[2-(4-butoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
CID 4684967
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
1,4-diazepan-1-yl-[2-(4-methoxyphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119415935
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485

Frequently Asked Questions

What is the IUPAC name of [2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone (CID 10179324) is [2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone is CCNCCCOc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KEHGXNCFTJOKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-26-14-7-17-30-20-12-10-19(11-13-20)24-18-22(25(29)28-15-5-6-16-28)21-8-3-4-9-23(21)27-24/h3-4,8-13,18,26H,2,5-7,14-17H2,1H3.
What are the key properties of [2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone?
[2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 403.53 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10179324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).