8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine

C17H14N4 — CID 70739111

IUPAC8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine
SMILESCn1ccc2c(-c3cccc4c(N)ccnc34)ccnc21
InChIInChI=1S/C17H14N4/c1-21-10-7-13-11(5-8-20-17(13)21)12-3-2-4-14-15(18)6-9-19-16(12)14/h2-10H,1H3,(H2,18,19)
InChIKeyFPMWOTGMQRJJKW-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.37
Rot. Bonds1

About 8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine

8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine (PubChem CID 70739111) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine
PubChem CID70739111
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine
SMILESCn1ccc2c(-c3cccc4c(N)ccnc34)ccnc21
InChIInChI=1S/C17H14N4/c1-21-10-7-13-11(5-8-20-17(13)21)12-3-2-4-14-15(18)6-9-19-16(12)14/h2-10H,1H3,(H2,18,19)
InChIKeyFPMWOTGMQRJJKW-UHFFFAOYSA-N
XLogP3.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine?
The IUPAC name of 8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine (CID 70739111) is 8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine.
What is the SMILES notation for 8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine?
The canonical SMILES for 8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine is Cn1ccc2c(-c3cccc4c(N)ccnc34)ccnc21.
What is the InChIKey of 8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine?
The InChIKey is FPMWOTGMQRJJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-21-10-7-13-11(5-8-20-17(13)21)12-3-2-4-14-15(18)6-9-19-16(12)14/h2-10H,1H3,(H2,18,19).
What are the key properties of 8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine?
8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine has a molecular weight of 274.33 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine is sourced from PubChem (CID 70739111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).