8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

C31H35N7O3 — CID 67266442

IUPAC8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCNc1ncc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCC(O)C3)nc2C)c(=O)n4C)cc1COCC
InChIInChI=1S/C31H35N7O3/c1-5-32-30-22(18-41-6-2)13-21(15-34-30)20-7-8-25-24(14-20)29-27(16-33-25)36(4)31(40)38(29)26-9-10-28(35-19(26)3)37-12-11-23(39)17-37/h7-10,13-16,23,39H,5-6,11-12,17-18H2,1-4H3,(H,32,34)
InChIKeyDZOSCJUUIANOOC-UHFFFAOYSA-N
MW553.67 g/mol
LogP4.18
Rot. Bonds8

About 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 67266442) has the molecular formula C31H35N7O3 and a molecular weight of 553.67 g/mol. Its IUPAC name is 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID67266442
Molecular FormulaC31H35N7O3
Molecular Weight553.67 g/mol
Exact Mass553.28
IUPAC Name8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCNc1ncc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCC(O)C3)nc2C)c(=O)n4C)cc1COCC
InChIInChI=1S/C31H35N7O3/c1-5-32-30-22(18-41-6-2)13-21(15-34-30)20-7-8-25-24(14-20)29-27(16-33-25)36(4)31(40)38(29)26-9-10-28(35-19(26)3)37-12-11-23(39)17-37/h7-10,13-16,23,39H,5-6,11-12,17-18H2,1-4H3,(H,32,34)
InChIKeyDZOSCJUUIANOOC-UHFFFAOYSA-N
XLogP4.18
TPSA110.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.67
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 67266442) is 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is CCNc1ncc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCC(O)C3)nc2C)c(=O)n4C)cc1COCC.
What is the InChIKey of 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is DZOSCJUUIANOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O3/c1-5-32-30-22(18-41-6-2)13-21(15-34-30)20-7-8-25-24(14-20)29-27(16-33-25)36(4)31(40)38(29)26-9-10-28(35-19(26)3)37-12-11-23(39)17-37/h7-10,13-16,23,39H,5-6,11-12,17-18H2,1-4H3,(H,32,34).
What are the key properties of 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 553.67 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(ethoxymethyl)-6-(ethylamino)-3-pyridinyl]-1-[6-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 67266442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).