3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C22H20N4O2 — CID 135145471

IUPAC3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2[nH]cc(-c3cc(OC)c4ncccc4c3)c2c1
InChIInChI=1S/C22H20N4O2/c1-4-8-26(2)22(27)16-10-17-18(13-25-21(17)24-12-16)15-9-14-6-5-7-23-20(14)19(11-15)28-3/h4-7,9-13H,1,8H2,2-3H3,(H,24,25)
InChIKeyXXESSEQCCTULKP-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.04
Rot. Bonds5

About 3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 135145471) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID135145471
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2[nH]cc(-c3cc(OC)c4ncccc4c3)c2c1
InChIInChI=1S/C22H20N4O2/c1-4-8-26(2)22(27)16-10-17-18(13-25-21(17)24-12-16)15-9-14-6-5-7-23-20(14)19(11-15)28-3/h4-7,9-13H,1,8H2,2-3H3,(H,24,25)
InChIKeyXXESSEQCCTULKP-UHFFFAOYSA-N
XLogP4.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 135145471) is 3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is C=CCN(C)C(=O)c1cnc2[nH]cc(-c3cc(OC)c4ncccc4c3)c2c1.
What is the InChIKey of 3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is XXESSEQCCTULKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-4-8-26(2)22(27)16-10-17-18(13-25-21(17)24-12-16)15-9-14-6-5-7-23-20(14)19(11-15)28-3/h4-7,9-13H,1,8H2,2-3H3,(H,24,25).
What are the key properties of 3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxyquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 135145471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).