8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol

C25H31N5O3 — CID 134377485

IUPAC8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)N([C@@H]2CCOC2)C(O)N4C)cn1
InChIInChI=1S/C25H31N5O3/c1-28(2)10-4-11-33-23-8-6-18(14-27-23)17-5-7-21-20(13-17)24-22(15-26-21)29(3)25(31)30(24)19-9-12-32-16-19/h5-8,13-15,19,25,31H,4,9-12,16H2,1-3H3/t19-,25?/m1/s1
InChIKeyHWDDVUJCALEVAB-OEPVSBQMSA-N
MW449.56 g/mol
LogP2.95
Rot. Bonds7

About 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol

8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol (PubChem CID 134377485) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol.

Molecular Properties

Compound Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol
PubChem CID134377485
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)N([C@@H]2CCOC2)C(O)N4C)cn1
InChIInChI=1S/C25H31N5O3/c1-28(2)10-4-11-33-23-8-6-18(14-27-23)17-5-7-21-20(13-17)24-22(15-26-21)29(3)25(31)30(24)19-9-12-32-16-19/h5-8,13-15,19,25,31H,4,9-12,16H2,1-3H3/t19-,25?/m1/s1
InChIKeyHWDDVUJCALEVAB-OEPVSBQMSA-N
XLogP2.95
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
4-[tert-butyl-[(1S)-1-(oxan-4-yl)ethyl]amino]-6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]cinnoline-3-carboxamide
CID 139310623
3'-cyclopropyl-8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7'-fluorospiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146481917
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
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 175844798
N,N-dimethyl-3-[[5-[6-(oxan-4-yl)pyrimido[1,2-a]benzimidazol-3-yl]-2-pyridinyl]oxy]propan-1-amine
CID 142413716
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one
CID 118498614

Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol?
The IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol (CID 134377485) is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol.
What is the SMILES notation for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol?
The canonical SMILES for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol is CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)N([C@@H]2CCOC2)C(O)N4C)cn1.
What is the InChIKey of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol?
The InChIKey is HWDDVUJCALEVAB-OEPVSBQMSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-28(2)10-4-11-33-23-8-6-18(14-27-23)17-5-7-21-20(13-17)24-22(15-26-21)29(3)25(31)30(24)19-9-12-32-16-19/h5-8,13-15,19,25,31H,4,9-12,16H2,1-3H3/t19-,25?/m1/s1.
What are the key properties of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol?
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol has a molecular weight of 449.56 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3R)-oxolan-3-yl]-2H-imidazo[4,5-c]quinolin-2-ol is sourced from PubChem (CID 134377485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).