4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one

C15H11N5O — CID 22664657

IUPAC4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one
SMILESNc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H11N5O/c16-12-8-4-1-2-5-9(8)19-15(21)11(12)14-18-10-6-3-7-17-13(10)20-14/h1-7H,(H3,16,19,21)(H,17,18,20)
InChIKeyHZJFSGCBXSPJTM-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.05
Rot. Bonds1

About 4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one

4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one (PubChem CID 22664657) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one
PubChem CID22664657
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one
SMILESNc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H11N5O/c16-12-8-4-1-2-5-9(8)19-15(21)11(12)14-18-10-6-3-7-17-13(10)20-14/h1-7H,(H3,16,19,21)(H,17,18,20)
InChIKeyHZJFSGCBXSPJTM-UHFFFAOYSA-N
XLogP2.05
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one (CID 22664657) is 4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one is Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one?
The InChIKey is HZJFSGCBXSPJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c16-12-8-4-1-2-5-9(8)19-15(21)11(12)14-18-10-6-3-7-17-13(10)20-14/h1-7H,(H3,16,19,21)(H,17,18,20).
What are the key properties of 4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one?
4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one has a molecular weight of 277.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 22664657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).