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

C26H25N7O3 — CID 118101866

IUPAC1-[1-(2-hydroxyacetyl)pyrrolidin-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(C(=O)CO)C3)c(=O)n5C)cn2)cn1
InChIInChI=1S/C26H25N7O3/c1-30-13-18(11-29-30)21-5-4-17(10-27-21)16-3-6-22-20(9-16)25-23(12-28-22)31(2)26(36)33(25)19-7-8-32(14-19)24(35)15-34/h3-6,9-13,19,34H,7-8,14-15H2,1-2H3
InChIKeyGDWGLJATTHZCKY-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.12
Rot. Bonds4

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

1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118101866) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
PubChem CID118101866
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name1-[1-(2-hydroxyacetyl)pyrrolidin-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(C(=O)CO)C3)c(=O)n5C)cn2)cn1
InChIInChI=1S/C26H25N7O3/c1-30-13-18(11-29-30)21-5-4-17(10-27-21)16-3-6-22-20(9-16)25-23(12-28-22)31(2)26(36)33(25)19-7-8-32(14-19)24(35)15-34/h3-6,9-13,19,34H,7-8,14-15H2,1-2H3
InChIKeyGDWGLJATTHZCKY-UHFFFAOYSA-N
XLogP2.12
TPSA111.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyacetyl)pyrrolidin-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-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (CID 118101866) is 1-[1-(2-hydroxyacetyl)pyrrolidin-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-(2-hydroxyacetyl)pyrrolidin-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-(2-hydroxyacetyl)pyrrolidin-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(C(=O)CO)C3)c(=O)n5C)cn2)cn1.
What is the InChIKey of 1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is GDWGLJATTHZCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-30-13-18(11-29-30)21-5-4-17(10-27-21)16-3-6-22-20(9-16)25-23(12-28-22)31(2)26(36)33(25)19-7-8-32(14-19)24(35)15-34/h3-6,9-13,19,34H,7-8,14-15H2,1-2H3.
What are the key properties of 1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 483.53 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).