N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine

C25H31N5O2 — CID 177173317

IUPACN,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine
SMILESCNCCOc1ccc(-c2cc(N3CCC4(COC4)C3)c3ccc(N(C)C)cc3n2)cn1
InChIInChI=1S/C25H31N5O2/c1-26-9-11-32-24-7-4-18(14-27-24)21-13-23(30-10-8-25(15-30)16-31-17-25)20-6-5-19(29(2)3)12-22(20)28-21/h4-7,12-14,26H,8-11,15-17H2,1-3H3
InChIKeyHTGAACUPOOKDRC-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.19
Rot. Bonds7

About N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine

N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine (PubChem CID 177173317) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine
PubChem CID177173317
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine
SMILESCNCCOc1ccc(-c2cc(N3CCC4(COC4)C3)c3ccc(N(C)C)cc3n2)cn1
InChIInChI=1S/C25H31N5O2/c1-26-9-11-32-24-7-4-18(14-27-24)21-13-23(30-10-8-25(15-30)16-31-17-25)20-6-5-19(29(2)3)12-22(20)28-21/h4-7,12-14,26H,8-11,15-17H2,1-3H3
InChIKeyHTGAACUPOOKDRC-UHFFFAOYSA-N
XLogP3.19
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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
1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen
CID 177173257
4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
CID 177174244
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
2-[4-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.4]octan-7-yl)-6-fluoro-7-methoxyquinolin-2-yl]phenoxy]-N,N-dimethylethanamine
CID 177173101
4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
CID 177172690
[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate
CID 177173899
N-cyclopropyl-1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidine-3-carboxamide
CID 177174261
(3S)-N-ethyl-1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidine-3-carboxamide
CID 177173980
2-[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl]ethanamine
CID 177173642
7-(2-propylquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133412371
7-methyl-2-[6-[3-(methylamino)propoxy]-3-pyridinyl]-10-(oxan-4-yl)-10,11-dihydro-9H-azepino[2,3-c]quinolin-8-one
CID 123286209

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine?
The IUPAC name of N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine (CID 177173317) is N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine.
What is the SMILES notation for N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine?
The canonical SMILES for N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine is CNCCOc1ccc(-c2cc(N3CCC4(COC4)C3)c3ccc(N(C)C)cc3n2)cn1.
What is the InChIKey of N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine?
The InChIKey is HTGAACUPOOKDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-26-9-11-32-24-7-4-18(14-27-24)21-13-23(30-10-8-25(15-30)16-31-17-25)20-6-5-19(29(2)3)12-22(20)28-21/h4-7,12-14,26H,8-11,15-17H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine?
N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine has a molecular weight of 433.56 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine is sourced from PubChem (CID 177173317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).