5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

C21H26N4O — CID 51036916

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCc4ccccc43)nc21
InChIInChI=1S/C21H26N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h5-6,8,10-12H,7,9,13-14H2,1-4H3
InChIKeyHTSXWSRQVOMZIM-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.87
Rot. Bonds2

About 5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 51036916) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID51036916
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCc4ccccc43)nc21
InChIInChI=1S/C21H26N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h5-6,8,10-12H,7,9,13-14H2,1-4H3
InChIKeyHTSXWSRQVOMZIM-UHFFFAOYSA-N
XLogP3.87
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 51036916) is 5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCc4ccccc43)nc21.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is HTSXWSRQVOMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h5-6,8,10-12H,7,9,13-14H2,1-4H3.
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 350.47 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 51036916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).