[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate

C25H30N4O4 — CID 177173899

IUPAC[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate
SMILESCNCCOc1ccc(-c2cc(N3CCC(OC(=O)NC)C3)c3ccc(OC)cc3n2)cc1
InChIInChI=1S/C25H30N4O4/c1-26-11-13-32-18-6-4-17(5-7-18)22-15-24(21-9-8-19(31-3)14-23(21)28-22)29-12-10-20(16-29)33-25(30)27-2/h4-9,14-15,20,26H,10-13,16H2,1-3H3,(H,27,30)
InChIKeyMSAVZIBIVQMEGH-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.44
Rot. Bonds8

About [1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate

[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate (PubChem CID 177173899) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is [1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate.

Molecular Properties

Compound Name[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate
PubChem CID177173899
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate
SMILESCNCCOc1ccc(-c2cc(N3CCC(OC(=O)NC)C3)c3ccc(OC)cc3n2)cc1
InChIInChI=1S/C25H30N4O4/c1-26-11-13-32-18-6-4-17(5-7-18)22-15-24(21-9-8-19(31-3)14-23(21)28-22)29-12-10-20(16-29)33-25(30)27-2/h4-9,14-15,20,26H,10-13,16H2,1-3H3,(H,27,30)
InChIKeyMSAVZIBIVQMEGH-UHFFFAOYSA-N
XLogP3.44
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-ethyl-1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidine-3-carboxamide
CID 177173980
N-cyclopropyl-1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidine-3-carboxamide
CID 177174261
2-[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl]ethanamine
CID 177173642
1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 177173211
2-[4-[4-(1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-e]thiazin-6-yl)-7-methoxyquinolin-2-yl]phenoxy]-N-methylethanamine
CID 177173813
2-[7-methoxy-2-[4-[3-(methylamino)propoxy]phenyl]quinolin-4-yl]-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one
CID 177173741
[1-[2-methoxy-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]pyrrolidin-3-yl]methanol
CID 177173042
2-[4-[4-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-7-(dimethylamino)quinolin-2-yl]phenoxy]ethyl N-methylcarbamate
CID 177173621
1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen
CID 177172767
tert-butyl 4-[5-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 177173250
2-[4-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-fluoro-7-methoxyquinolin-2-yl]phenoxy]-N-methylethanamine;ethane;molecular hydrogen
CID 177173416
2-[7-methoxy-2-[4-(2-pyrazol-1-ylethoxy)phenyl]quinolin-4-yl]-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one
CID 177173216

Frequently Asked Questions

What is the IUPAC name of [1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate?
The IUPAC name of [1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate (CID 177173899) is [1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate.
What is the SMILES notation for [1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate?
The canonical SMILES for [1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate is CNCCOc1ccc(-c2cc(N3CCC(OC(=O)NC)C3)c3ccc(OC)cc3n2)cc1.
What is the InChIKey of [1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate?
The InChIKey is MSAVZIBIVQMEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-26-11-13-32-18-6-4-17(5-7-18)22-15-24(21-9-8-19(31-3)14-23(21)28-22)29-12-10-20(16-29)33-25(30)27-2/h4-9,14-15,20,26H,10-13,16H2,1-3H3,(H,27,30).
What are the key properties of [1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate?
[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate has a molecular weight of 450.54 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate is sourced from PubChem (CID 177173899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).