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

C31H29N7O — CID 118101861

IUPAC1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(Cc4ccccc4)C3)c(=O)n5C)cn2)cn1
InChIInChI=1S/C31H29N7O/c1-35-19-24(16-34-35)27-10-9-23(15-32-27)22-8-11-28-26(14-22)30-29(17-33-28)36(2)31(39)38(30)25-12-13-37(20-25)18-21-6-4-3-5-7-21/h3-11,14-17,19,25H,12-13,18,20H2,1-2H3
InChIKeyYTTYQCZIIFFOOD-UHFFFAOYSA-N
MW515.62 g/mol
LogP4.80
Rot. Bonds5

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

1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118101861) has the molecular formula C31H29N7O and a molecular weight of 515.62 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
PubChem CID118101861
Molecular FormulaC31H29N7O
Molecular Weight515.62 g/mol
Exact Mass515.24
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(Cc4ccccc4)C3)c(=O)n5C)cn2)cn1
InChIInChI=1S/C31H29N7O/c1-35-19-24(16-34-35)27-10-9-23(15-32-27)22-8-11-28-26(14-22)30-29(17-33-28)36(2)31(39)38(30)25-12-13-37(20-25)18-21-6-4-3-5-7-21/h3-11,14-17,19,25H,12-13,18,20H2,1-2H3
InChIKeyYTTYQCZIIFFOOD-UHFFFAOYSA-N
XLogP4.80
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.62
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-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-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (CID 118101861) is 1-(1-benzylpyrrolidin-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-benzylpyrrolidin-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-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(Cc4ccccc4)C3)c(=O)n5C)cn2)cn1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is YTTYQCZIIFFOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7O/c1-35-19-24(16-34-35)27-10-9-23(15-32-27)22-8-11-28-26(14-22)30-29(17-33-28)36(2)31(39)38(30)25-12-13-37(20-25)18-21-6-4-3-5-7-21/h3-11,14-17,19,25H,12-13,18,20H2,1-2H3.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 515.62 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).