1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid

C19H19N3O3 — CID 146178005

IUPAC1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESCc1cc2c(Oc3ccc4c(c3)N(C)C(C(=O)O)CC4)ccnc2[nH]1
InChIInChI=1S/C19H19N3O3/c1-11-9-14-17(7-8-20-18(14)21-11)25-13-5-3-12-4-6-15(19(23)24)22(2)16(12)10-13/h3,5,7-10,15H,4,6H2,1-2H3,(H,20,21)(H,23,24)
InChIKeyQOBXTBIHFFCLLD-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.50
Rot. Bonds3

About 1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid

1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid (PubChem CID 146178005) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid
PubChem CID146178005
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESCc1cc2c(Oc3ccc4c(c3)N(C)C(C(=O)O)CC4)ccnc2[nH]1
InChIInChI=1S/C19H19N3O3/c1-11-9-14-17(7-8-20-18(14)21-11)25-13-5-3-12-4-6-15(19(23)24)22(2)16(12)10-13/h3,5,7-10,15H,4,6H2,1-2H3,(H,20,21)(H,23,24)
InChIKeyQOBXTBIHFFCLLD-UHFFFAOYSA-N
XLogP3.50
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The IUPAC name of 1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid (CID 146178005) is 1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid.
What is the SMILES notation for 1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The canonical SMILES for 1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid is Cc1cc2c(Oc3ccc4c(c3)N(C)C(C(=O)O)CC4)ccnc2[nH]1.
What is the InChIKey of 1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The InChIKey is QOBXTBIHFFCLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-9-14-17(7-8-20-18(14)21-11)25-13-5-3-12-4-6-15(19(23)24)22(2)16(12)10-13/h3,5,7-10,15H,4,6H2,1-2H3,(H,20,21)(H,23,24).
What are the key properties of 1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid?
1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-2H-quinoline-2-carboxylic acid is sourced from PubChem (CID 146178005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).