8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one

C28H31N5O3 — CID 163579124

IUPAC8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESC=Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN5CCC5)nc4)ccc3ncc21
InChIInChI=1S/C28H31N5O3/c1-2-32-25-19-29-24-7-5-20(17-23(24)27(25)33(28(32)34)22-9-15-35-16-10-22)21-6-8-26(30-18-21)36-14-4-13-31-11-3-12-31/h2,5-8,17-19,22H,1,3-4,9-16H2
InChIKeyGGAVVYDNJXYZEM-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.34
Rot. Bonds8

About 8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one

8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 163579124) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID163579124
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESC=Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN5CCC5)nc4)ccc3ncc21
InChIInChI=1S/C28H31N5O3/c1-2-32-25-19-29-24-7-5-20(17-23(24)27(25)33(28(32)34)22-9-15-35-16-10-22)21-6-8-26(30-18-21)36-14-4-13-31-11-3-12-31/h2,5-8,17-19,22H,1,3-4,9-16H2
InChIKeyGGAVVYDNJXYZEM-UHFFFAOYSA-N
XLogP4.34
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.34
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

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
1-cyclobutyl-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2,2,2-trifluoroacetic acid
CID 118523405
7-fluoro-1-(3-methoxycyclobutyl)-3-methyl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118523351
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 123853510
3-methyl-4-[(3S)-oxolan-3-yl]-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one
CID 118498749
8-[6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 130406066
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(4-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118502921
1-ethyl-3'-methyl-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146482034
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 167528089
8-[6-[3-[5-[[(5S,8R,9S,10S,13S,14S,17S)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]pentyl-methylamino]propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 153291388
3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one
CID 166645391
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

Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one (CID 163579124) is 8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one is C=Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCN5CCC5)nc4)ccc3ncc21.
What is the InChIKey of 8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is GGAVVYDNJXYZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-2-32-25-19-29-24-7-5-20(17-23(24)27(25)33(28(32)34)22-9-15-35-16-10-22)21-6-8-26(30-18-21)36-14-4-13-31-11-3-12-31/h2,5-8,17-19,22H,1,3-4,9-16H2.
What are the key properties of 8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 485.59 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-(azetidin-1-yl)propoxy]-3-pyridinyl]-3-ethenyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 163579124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).