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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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).