1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

C19H19N3 — CID 6611738

IUPAC1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESCc1ccc2nc3c(c(N)c2c1)CCN3Cc1ccccc1
InChIInChI=1S/C19H19N3/c1-13-7-8-17-16(11-13)18(20)15-9-10-22(19(15)21-17)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,20,21)
InChIKeyWEHILCIOIIDQMB-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.69
Rot. Bonds2

About 1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (PubChem CID 6611738) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.

Molecular Properties

Compound Name1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
PubChem CID6611738
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESCc1ccc2nc3c(c(N)c2c1)CCN3Cc1ccccc1
InChIInChI=1S/C19H19N3/c1-13-7-8-17-16(11-13)18(20)15-9-10-22(19(15)21-17)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,20,21)
InChIKeyWEHILCIOIIDQMB-UHFFFAOYSA-N
XLogP3.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The IUPAC name of 1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (CID 6611738) is 1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.
What is the SMILES notation for 1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The canonical SMILES for 1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is Cc1ccc2nc3c(c(N)c2c1)CCN3Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The InChIKey is WEHILCIOIIDQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-13-7-8-17-16(11-13)18(20)15-9-10-22(19(15)21-17)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,20,21).
What are the key properties of 1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is sourced from PubChem (CID 6611738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).