1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide

C18H13ClN4O2 — CID 155011682

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12
InChIInChI=1S/C18H13ClN4O2/c19-12-6-11-5-10(1-2-14(11)21-7-12)8-23-9-13(18(20)25)17-15(23)3-4-16(24)22-17/h1-7,9H,8H2,(H2,20,25)(H,22,24)
InChIKeyFEGMNWDBZKZQIA-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.68
Rot. Bonds3

About 1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide

1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 155011682) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID155011682
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12
InChIInChI=1S/C18H13ClN4O2/c19-12-6-11-5-10(1-2-14(11)21-7-12)8-23-9-13(18(20)25)17-15(23)3-4-16(24)22-17/h1-7,9H,8H2,(H2,20,25)(H,22,24)
InChIKeyFEGMNWDBZKZQIA-UHFFFAOYSA-N
XLogP2.68
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 155011682) is 1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide is NC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is FEGMNWDBZKZQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-12-6-11-5-10(1-2-14(11)21-7-12)8-23-9-13(18(20)25)17-15(23)3-4-16(24)22-17/h1-7,9H,8H2,(H2,20,25)(H,22,24).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide?
1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 352.78 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 155011682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).