N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine

C25H31N5O2 — CID 134377286

IUPACN,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)N([C@H]2CCOC2)CN4C)cn1
InChIInChI=1S/C25H31N5O2/c1-28(2)10-4-11-32-24-8-6-19(14-27-24)18-5-7-22-21(13-18)25-23(15-26-22)29(3)17-30(25)20-9-12-31-16-20/h5-8,13-15,20H,4,9-12,16-17H2,1-3H3/t20-/m0/s1
InChIKeyHHQXWQBADHTAEB-FQEVSTJZSA-N
MW433.56 g/mol
LogP3.63
Rot. Bonds7

About N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine (PubChem CID 134377286) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine
PubChem CID134377286
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)N([C@H]2CCOC2)CN4C)cn1
InChIInChI=1S/C25H31N5O2/c1-28(2)10-4-11-32-24-8-6-19(14-27-24)18-5-7-22-21(13-18)25-23(15-26-22)29(3)17-30(25)20-9-12-31-16-20/h5-8,13-15,20H,4,9-12,16-17H2,1-3H3/t20-/m0/s1
InChIKeyHHQXWQBADHTAEB-FQEVSTJZSA-N
XLogP3.63
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine with MolForge

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Related Compounds

8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol
CID 134377485
3-[[5-[7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 140759264
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(4-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118502921
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
CID 139314889
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
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 118502955
4-[tert-butyl-[(1S)-1-(oxan-4-yl)ethyl]amino]-6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]cinnoline-3-carboxamide
CID 139310623
N,N-dimethyl-3-[[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine oxide
CID 131986481
N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine
CID 142413716
3'-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7'-fluorospiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146481917
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one
CID 118498614
8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 163579124

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine (CID 134377286) is N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine is CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)N([C@H]2CCOC2)CN4C)cn1.
What is the InChIKey of N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is HHQXWQBADHTAEB-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-28(2)10-4-11-32-24-8-6-19(14-27-24)18-5-7-22-21(13-18)25-23(15-26-22)29(3)17-30(25)20-9-12-31-16-20/h5-8,13-15,20H,4,9-12,16-17H2,1-3H3/t20-/m0/s1.
What are the key properties of N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 433.56 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-[3-methyl-1-[(3S)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 134377286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).