1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine

C28H30FN5O — CID 50938951

IUPAC1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine
SMILESCOCCN(C)c1cnc2c(c1)N(c1c(C)c(-c3ccccn3)nc3cc(F)ccc13)CC2(C)C
InChIInChI=1S/C28H30FN5O/c1-18-25(22-8-6-7-11-30-22)32-23-14-19(29)9-10-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33(4)12-13-35-5/h6-11,14-16H,12-13,17H2,1-5H3
InChIKeyFUBRQEWCNNSWLU-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.65
Rot. Bonds6

About 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine

1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine (PubChem CID 50938951) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine.

Molecular Properties

Compound Name1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine
PubChem CID50938951
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC Name1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine
SMILESCOCCN(C)c1cnc2c(c1)N(c1c(C)c(-c3ccccn3)nc3cc(F)ccc13)CC2(C)C
InChIInChI=1S/C28H30FN5O/c1-18-25(22-8-6-7-11-30-22)32-23-14-19(29)9-10-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33(4)12-13-35-5/h6-11,14-16H,12-13,17H2,1-5H3
InChIKeyFUBRQEWCNNSWLU-UHFFFAOYSA-N
XLogP5.65
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine?
The IUPAC name of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine (CID 50938951) is 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine.
What is the SMILES notation for 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine?
The canonical SMILES for 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine is COCCN(C)c1cnc2c(c1)N(c1c(C)c(-c3ccccn3)nc3cc(F)ccc13)CC2(C)C.
What is the InChIKey of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine?
The InChIKey is FUBRQEWCNNSWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-18-25(22-8-6-7-11-30-22)32-23-14-19(29)9-10-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33(4)12-13-35-5/h6-11,14-16H,12-13,17H2,1-5H3.
What are the key properties of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine?
1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine has a molecular weight of 471.58 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-N-(2-methoxyethyl)-N,3,3-trimethyl-2H-pyrrolo[3,2-b]pyridin-6-amine is sourced from PubChem (CID 50938951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).