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

C26H25N7O2 — CID 118101795

IUPAC1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)C1
InChIInChI=1S/C26H25N7O2/c1-16(34)32-9-8-20(15-32)33-25-21-10-17(4-7-23(21)28-13-24(25)31(3)26(33)35)18-5-6-22(27-11-18)19-12-29-30(2)14-19/h4-7,10-14,20H,8-9,15H2,1-3H3
InChIKeyVKUWAWNKLHNKAP-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.14
Rot. Bonds3

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

1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118101795) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
PubChem CID118101795
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)C1
InChIInChI=1S/C26H25N7O2/c1-16(34)32-9-8-20(15-32)33-25-21-10-17(4-7-23(21)28-13-24(25)31(3)26(33)35)18-5-6-22(27-11-18)19-12-29-30(2)14-19/h4-7,10-14,20H,8-9,15H2,1-3H3
InChIKeyVKUWAWNKLHNKAP-UHFFFAOYSA-N
XLogP3.14
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101866
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-pyrrolidin-3-ylimidazo[4,5-c]quinolin-2-one
CID 118101793
3-methyl-1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101862
tert-butyl (3R)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]pyrrolidine-1-carboxylate;1-cyclopentyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;deuterioethane;methane;methanesulfonyl chloride;3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride
CID 159241203
methanesulfonyl chloride;3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one
CID 160621444
3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101775
3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101820
tert-butyl 3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 118101778
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 118101881
1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea
CID 67346051
1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118101796

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (CID 118101795) is 1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)C1.
What is the InChIKey of 1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is VKUWAWNKLHNKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-16(34)32-9-8-20(15-32)33-25-21-10-17(4-7-23(21)28-13-24(25)31(3)26(33)35)18-5-6-22(27-11-18)19-12-29-30(2)14-19/h4-7,10-14,20H,8-9,15H2,1-3H3.
What are the key properties of 1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 467.53 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).