7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine

C13H19N3 — CID 23558861

IUPAC7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine
SMILESCC(C)N1CCc2cc3c(nc2C1)NCC3
InChIInChI=1S/C13H19N3/c1-9(2)16-6-4-10-7-11-3-5-14-13(11)15-12(10)8-16/h7,9H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyQZLWCTVFQASZAF-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.82
Rot. Bonds1

About 7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine

7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine (PubChem CID 23558861) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine.

Molecular Properties

Compound Name7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine
PubChem CID23558861
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine
SMILESCC(C)N1CCc2cc3c(nc2C1)NCC3
InChIInChI=1S/C13H19N3/c1-9(2)16-6-4-10-7-11-3-5-14-13(11)15-12(10)8-16/h7,9H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyQZLWCTVFQASZAF-UHFFFAOYSA-N
XLogP1.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine?
The IUPAC name of 7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine (CID 23558861) is 7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine.
What is the SMILES notation for 7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine?
The canonical SMILES for 7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine is CC(C)N1CCc2cc3c(nc2C1)NCC3.
What is the InChIKey of 7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine?
The InChIKey is QZLWCTVFQASZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)16-6-4-10-7-11-3-5-14-13(11)15-12(10)8-16/h7,9H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine?
7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine has a molecular weight of 217.32 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolo[2,3-b][1,7]naphthyridine is sourced from PubChem (CID 23558861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).