1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one

C18H16BrN3O — CID 122601681

IUPAC1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one
SMILESCc1nc2ccc(Br)cn2c1CN1C(=O)CCc2ccccc21
InChIInChI=1S/C18H16BrN3O/c1-12-16(21-10-14(19)7-8-17(21)20-12)11-22-15-5-3-2-4-13(15)6-9-18(22)23/h2-5,7-8,10H,6,9,11H2,1H3
InChIKeyXYTFZQAYNRODSE-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.88
Rot. Bonds2

About 1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one

1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 122601681) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID122601681
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one
SMILESCc1nc2ccc(Br)cn2c1CN1C(=O)CCc2ccccc21
InChIInChI=1S/C18H16BrN3O/c1-12-16(21-10-14(19)7-8-17(21)20-12)11-22-15-5-3-2-4-13(15)6-9-18(22)23/h2-5,7-8,10H,6,9,11H2,1H3
InChIKeyXYTFZQAYNRODSE-UHFFFAOYSA-N
XLogP3.88
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one (CID 122601681) is 1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one is Cc1nc2ccc(Br)cn2c1CN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is XYTFZQAYNRODSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-12-16(21-10-14(19)7-8-17(21)20-12)11-22-15-5-3-2-4-13(15)6-9-18(22)23/h2-5,7-8,10H,6,9,11H2,1H3.
What are the key properties of 1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one?
1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 370.25 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 122601681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).