7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one

C21H22N6O2 — CID 126504543

IUPAC7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccnc2[nH]c(=O)n(-c3ccc4nccc(N5CCNCC5)c4c3)c12
InChIInChI=1S/C21H22N6O2/c1-2-29-18-6-8-24-20-19(18)27(21(28)25-20)14-3-4-16-15(13-14)17(5-7-23-16)26-11-9-22-10-12-26/h3-8,13,22H,2,9-12H2,1H3,(H,24,25,28)
InChIKeyVSYNCCCIQPZVFI-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.07
Rot. Bonds4

About 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one

7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 126504543) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID126504543
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccnc2[nH]c(=O)n(-c3ccc4nccc(N5CCNCC5)c4c3)c12
InChIInChI=1S/C21H22N6O2/c1-2-29-18-6-8-24-20-19(18)27(21(28)25-20)14-3-4-16-15(13-14)17(5-7-23-16)26-11-9-22-10-12-26/h3-8,13,22H,2,9-12H2,1H3,(H,24,25,28)
InChIKeyVSYNCCCIQPZVFI-UHFFFAOYSA-N
XLogP2.07
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504682
1-(4-ethoxyquinolin-6-yl)-7-methoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126504485
1-(3,4-dimethoxyquinolin-6-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126504416
1-(1,2-dihydrofuro[2,3-c]quinolin-8-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126505040
7-ethoxy-1-(4-methoxy-3-pyridin-4-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504612
1-(4-amino-2-methoxyquinolin-6-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126504802
7-ethoxy-1-(8-fluoro-4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504387
7-ethoxy-1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-c]quinolin-9-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504847
7-ethoxy-1-(3-methylimidazo[4,5-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504747
4-(1,4-diazepan-1-yl)-6-fluoroquinoline
CID 53399075
6-(3,5-dimethylphenyl)sulfonyl-4-piperazin-1-ylquinoline
CID 10002066
1-(4-ethoxy-3-methoxyphenyl)piperazine
CID 70276444

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 126504543) is 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one is CCOc1ccnc2[nH]c(=O)n(-c3ccc4nccc(N5CCNCC5)c4c3)c12.
What is the InChIKey of 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is VSYNCCCIQPZVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-2-29-18-6-8-24-20-19(18)27(21(28)25-20)14-3-4-16-15(13-14)17(5-7-23-16)26-11-9-22-10-12-26/h3-8,13,22H,2,9-12H2,1H3,(H,24,25,28).
What are the key properties of 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 390.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 126504543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).