1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

C18H17N3 — CID 711989

IUPAC1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2
InChIInChI=1S/C18H17N3/c19-17-14-8-4-5-9-16(14)20-18-15(17)10-11-21(18)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,20)
InChIKeyZCZQCKJQIGWLFR-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.38
Rot. Bonds2

About 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (PubChem CID 711989) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.

Molecular Properties

Compound Name1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
PubChem CID711989
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2
InChIInChI=1S/C18H17N3/c19-17-14-8-4-5-9-16(14)20-18-15(17)10-11-21(18)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,20)
InChIKeyZCZQCKJQIGWLFR-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The IUPAC name of 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (CID 711989) is 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.
What is the SMILES notation for 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The canonical SMILES for 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2.
What is the InChIKey of 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The InChIKey is ZCZQCKJQIGWLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-17-14-8-4-5-9-16(14)20-18-15(17)10-11-21(18)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,20).
What are the key properties of 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is sourced from PubChem (CID 711989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).