1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

C14H17N3 — CID 3759084

IUPAC1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESCc1cc(C)c2nc3c(c(N)c2c1)CCN3C
InChIInChI=1S/C14H17N3/c1-8-6-9(2)13-11(7-8)12(15)10-4-5-17(3)14(10)16-13/h6-7H,4-5H2,1-3H3,(H2,15,16)
InChIKeyPKPMHXAOKQVULU-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.43
Rot. Bonds

About 1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (PubChem CID 3759084) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.

Molecular Properties

Compound Name1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
PubChem CID3759084
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESCc1cc(C)c2nc3c(c(N)c2c1)CCN3C
InChIInChI=1S/C14H17N3/c1-8-6-9(2)13-11(7-8)12(15)10-4-5-17(3)14(10)16-13/h6-7H,4-5H2,1-3H3,(H2,15,16)
InChIKeyPKPMHXAOKQVULU-UHFFFAOYSA-N
XLogP2.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The IUPAC name of 1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (CID 3759084) is 1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.
What is the SMILES notation for 1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The canonical SMILES for 1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is Cc1cc(C)c2nc3c(c(N)c2c1)CCN3C.
What is the InChIKey of 1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The InChIKey is PKPMHXAOKQVULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-8-6-9(2)13-11(7-8)12(15)10-4-5-17(3)14(10)16-13/h6-7H,4-5H2,1-3H3,(H2,15,16).
What are the key properties of 1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,8-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is sourced from PubChem (CID 3759084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).