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

C21H21N5O2 — CID 126504682

IUPAC7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccnc2[nH]c(=O)n(-c3ccc4nccc(N5CCCC5)c4c3)c12
InChIInChI=1S/C21H21N5O2/c1-2-28-18-8-10-23-20-19(18)26(21(27)24-20)14-5-6-16-15(13-14)17(7-9-22-16)25-11-3-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,23,24,27)
InChIKeyJZMSCTBRAWQAMJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.26
Rot. Bonds4

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

7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 126504682) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID126504682
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccnc2[nH]c(=O)n(-c3ccc4nccc(N5CCCC5)c4c3)c12
InChIInChI=1S/C21H21N5O2/c1-2-28-18-8-10-23-20-19(18)26(21(27)24-20)14-5-6-16-15(13-14)17(7-9-22-16)25-11-3-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,23,24,27)
InChIKeyJZMSCTBRAWQAMJ-UHFFFAOYSA-N
XLogP3.26
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504543
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-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126504506
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-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504526
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-(azepan-1-yl)-6-methylquinoline
CID 133466822

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 126504682) is 7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one is CCOc1ccnc2[nH]c(=O)n(-c3ccc4nccc(N5CCCC5)c4c3)c12.
What is the InChIKey of 7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is JZMSCTBRAWQAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-28-18-8-10-23-20-19(18)26(21(27)24-20)14-5-6-16-15(13-14)17(7-9-22-16)25-11-3-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,23,24,27).
What are the key properties of 7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 375.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 126504682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).