2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine

C29H38N4 — CID 177174140

IUPAC2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine
SMILESC=CNCC.CCc1ccc2c(N3CCCC3)cc(-c3ccc(CC4CNC4)cc3)nc2c1
InChIInChI=1S/C25H29N3.C4H9N/c1-2-18-7-10-22-24(14-18)27-23(15-25(22)28-11-3-4-12-28)21-8-5-19(6-9-21)13-20-16-26-17-20;1-3-5-4-2/h5-10,14-15,20,26H,2-4,11-13,16-17H2,1H3;3,5H,1,4H2,2H3
InChIKeyGOVZCWGOXHCEHC-UHFFFAOYSA-N
MW442.65 g/mol
LogP5.57
Rot. Bonds7

About 2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine

2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine (PubChem CID 177174140) has the molecular formula C29H38N4 and a molecular weight of 442.65 g/mol. Its IUPAC name is 2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine.

Molecular Properties

Compound Name2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine
PubChem CID177174140
Molecular FormulaC29H38N4
Molecular Weight442.65 g/mol
Exact Mass442.31
IUPAC Name2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine
SMILESC=CNCC.CCc1ccc2c(N3CCCC3)cc(-c3ccc(CC4CNC4)cc3)nc2c1
InChIInChI=1S/C25H29N3.C4H9N/c1-2-18-7-10-22-24(14-18)27-23(15-25(22)28-11-3-4-12-28)21-8-5-19(6-9-21)13-20-16-26-17-20;1-3-5-4-2/h5-10,14-15,20,26H,2-4,11-13,16-17H2,1H3;3,5H,1,4H2,2H3
InChIKeyGOVZCWGOXHCEHC-UHFFFAOYSA-N
XLogP5.57
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2,9-diazaspiro[4.5]decan-2-yl)-7-ethylquinolin-2-yl]-N,N-dimethylpyridin-2-amine
CID 177173548
3-[4-[4-(3a-fluoro-4-methylidene-1,3,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)-7-ethylquinolin-2-yl]phenyl]-N-methylpropan-1-amine;ethane
CID 177173783
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074
1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine
CID 86273339
4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline
CID 143244835
N-[[1-(7-chloro-2-phenylquinolin-4-yl)piperidin-4-yl]methyl]-N-ethylethanamine;4,7-dichloro-2-phenylquinoline;N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 158355210
7-methoxy-2-phenyl-4-piperazin-1-ylquinoline
CID 121237208
(3S)-N-ethyl-1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidine-3-carboxamide
CID 177173980
7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22054474
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine?
The IUPAC name of 2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine (CID 177174140) is 2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine.
What is the SMILES notation for 2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine?
The canonical SMILES for 2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine is C=CNCC.CCc1ccc2c(N3CCCC3)cc(-c3ccc(CC4CNC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine?
The InChIKey is GOVZCWGOXHCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3.C4H9N/c1-2-18-7-10-22-24(14-18)27-23(15-25(22)28-11-3-4-12-28)21-8-5-19(6-9-21)13-20-16-26-17-20;1-3-5-4-2/h5-10,14-15,20,26H,2-4,11-13,16-17H2,1H3;3,5H,1,4H2,2H3.
What are the key properties of 2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine?
2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine has a molecular weight of 442.65 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine is sourced from PubChem (CID 177174140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).