8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one

C26H30FN5O3 — CID 118502892

IUPAC8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOC1CC(n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(OCCCN(C)C)nc5)cc4c32)C1
InChIInChI=1S/C26H30FN5O3/c1-30(2)8-5-9-35-24-7-6-16(14-29-24)19-12-20-22(13-21(19)27)28-15-23-25(20)32(26(33)31(23)3)17-10-18(11-17)34-4/h6-7,12-15,17-18H,5,8-11H2,1-4H3
InChIKeyZOFXOZXMDBPIQF-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.77
Rot. Bonds8

About 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one

8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 118502892) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID118502892
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOC1CC(n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(OCCCN(C)C)nc5)cc4c32)C1
InChIInChI=1S/C26H30FN5O3/c1-30(2)8-5-9-35-24-7-6-16(14-29-24)19-12-20-22(13-21(19)27)28-15-23-25(20)32(26(33)31(23)3)17-10-18(11-17)34-4/h6-7,12-15,17-18H,5,8-11H2,1-4H3
InChIKeyZOFXOZXMDBPIQF-UHFFFAOYSA-N
XLogP3.77
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.77
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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Related Compounds

Azd-0156
CID 118502708
Azd-1390
CID 126689157
Samotolisib
CID 57519748
BGT-226 free base
CID 11978790
1-(4-Hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379619
8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118498683
1-(3-Methoxycyclobutyl)-3-methyl-8-[6-[3-(methylamino)propoxy]-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118498727
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 118498935
8-[6-(3-Dimethylaminopropoxy)pyridin-3-yl]-1-(cis-3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118499887
8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-1-(3-hydroxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118500050
1-(3-Methoxycyclobutyl)-3-methyl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118500097
8-[6-[3-(Dimethylamino)propoxy]-2-fluoro-3-pyridinyl]-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118500108

Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 118502892) is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one is COC1CC(n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(OCCCN(C)C)nc5)cc4c32)C1.
What is the InChIKey of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is ZOFXOZXMDBPIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c1-30(2)8-5-9-35-24-7-6-16(14-29-24)19-12-20-22(13-21(19)27)28-15-23-25(20)32(26(33)31(23)3)17-10-18(11-17)34-4/h6-7,12-15,17-18H,5,8-11H2,1-4H3.
What are the key properties of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 479.56 g/mol, XLogP of 3.77, 8 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]-7-fluoro-1-(3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118502892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).