8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one

C24H27N5O3 — CID 118498627

IUPAC8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2COC2)c(=O)n4C)cn1
InChIInChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3
InChIKeyWGCDXRFFSPQJBW-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.85
Rot. Bonds7

About 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one

8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 118498627) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID118498627
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one
SMILESCN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2COC2)c(=O)n4C)cn1
InChIInChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3
InChIKeyWGCDXRFFSPQJBW-UHFFFAOYSA-N
XLogP2.85
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one (CID 118498627) is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one is CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2COC2)c(=O)n4C)cn1.
What is the InChIKey of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is WGCDXRFFSPQJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3.
What are the key properties of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one?
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 433.51 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 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-(oxetan-3-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118498627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).