1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

C24H26N6O3 — CID 147167393

IUPAC1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESC/N=C/C(=C(C)N)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCO)nc4)cc3c21
InChIInChI=1S/C24H26N6O3/c1-15(25)20(13-26-2)30-23-18-11-16(17-6-8-22(28-12-17)33-10-4-9-31)5-7-19(18)27-14-21(23)29(3)24(30)32/h5-8,11-14,31H,4,9-10,25H2,1-3H3/b20-15?,26-13+
InChIKeyMFWRSQBJIPBBFZ-SWICYNAMSA-N
MW446.51 g/mol
LogP2.56
Rot. Bonds7

About 1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 147167393) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID147167393
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESC/N=C/C(=C(C)N)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCO)nc4)cc3c21
InChIInChI=1S/C24H26N6O3/c1-15(25)20(13-26-2)30-23-18-11-16(17-6-8-22(28-12-17)33-10-4-9-31)5-7-19(18)27-14-21(23)29(3)24(30)32/h5-8,11-14,31H,4,9-10,25H2,1-3H3/b20-15?,26-13+
InChIKeyMFWRSQBJIPBBFZ-SWICYNAMSA-N
XLogP2.56
TPSA120.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620070
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
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(4-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118502921
8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
CID 141319169
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
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619625
6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one
CID 143175130
3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium
CID 126710630
1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59612983
N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide
CID 167043058
ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate
CID 86267360
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 167528089

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 147167393) is 1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is C/N=C/C(=C(C)N)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCO)nc4)cc3c21.
What is the InChIKey of 1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is MFWRSQBJIPBBFZ-SWICYNAMSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15(25)20(13-26-2)30-23-18-11-16(17-6-8-22(28-12-17)33-10-4-9-31)5-7-19(18)27-14-21(23)29(3)24(30)32/h5-8,11-14,31H,4,9-10,25H2,1-3H3/b20-15?,26-13+.
What are the key properties of 1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 446.51 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 147167393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).