5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine

C19H16F3N3 — CID 67487543

IUPAC5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine
SMILESCCN1Cc2nc3c(-c4ccc(F)cc4F)c(F)ccc3c(N)c2C1
InChIInChI=1S/C19H16F3N3/c1-2-25-8-13-16(9-25)24-19-12(18(13)23)5-6-14(21)17(19)11-4-3-10(20)7-15(11)22/h3-7H,2,8-9H2,1H3,(H2,23,24)
InChIKeyDAJIZEOMPYCECS-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.24
Rot. Bonds2

About 5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine

5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine (PubChem CID 67487543) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine
PubChem CID67487543
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine
SMILESCCN1Cc2nc3c(-c4ccc(F)cc4F)c(F)ccc3c(N)c2C1
InChIInChI=1S/C19H16F3N3/c1-2-25-8-13-16(9-25)24-19-12(18(13)23)5-6-14(21)17(19)11-4-3-10(20)7-15(11)22/h3-7H,2,8-9H2,1H3,(H2,23,24)
InChIKeyDAJIZEOMPYCECS-UHFFFAOYSA-N
XLogP4.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine (CID 67487543) is 5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine is CCN1Cc2nc3c(-c4ccc(F)cc4F)c(F)ccc3c(N)c2C1.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine?
The InChIKey is DAJIZEOMPYCECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c1-2-25-8-13-16(9-25)24-19-12(18(13)23)5-6-14(21)17(19)11-4-3-10(20)7-15(11)22/h3-7H,2,8-9H2,1H3,(H2,23,24).
What are the key properties of 5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine?
5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine has a molecular weight of 343.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine is sourced from PubChem (CID 67487543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).