9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine

C16H17N3O — CID 155515606

IUPAC9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine
SMILESCOc1ccc2[nH]c3nc4c(c(N)c3c2c1)CCCC4
InChIInChI=1S/C16H17N3O/c1-20-9-6-7-13-11(8-9)14-15(17)10-4-2-3-5-12(10)18-16(14)19-13/h6-8H,2-5H2,1H3,(H3,17,18,19)
InChIKeyYKEPKFWKYHJUNN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.19
Rot. Bonds1

About 9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine

9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine (PubChem CID 155515606) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine.

Molecular Properties

Compound Name9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine
PubChem CID155515606
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine
SMILESCOc1ccc2[nH]c3nc4c(c(N)c3c2c1)CCCC4
InChIInChI=1S/C16H17N3O/c1-20-9-6-7-13-11(8-9)14-15(17)10-4-2-3-5-12(10)18-16(14)19-13/h6-8H,2-5H2,1H3,(H3,17,18,19)
InChIKeyYKEPKFWKYHJUNN-UHFFFAOYSA-N
XLogP3.19
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine?
The IUPAC name of 9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine (CID 155515606) is 9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine.
What is the SMILES notation for 9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine?
The canonical SMILES for 9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine is COc1ccc2[nH]c3nc4c(c(N)c3c2c1)CCCC4.
What is the InChIKey of 9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine?
The InChIKey is YKEPKFWKYHJUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-9-6-7-13-11(8-9)14-15(17)10-4-2-3-5-12(10)18-16(14)19-13/h6-8H,2-5H2,1H3,(H3,17,18,19).
What are the key properties of 9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine?
9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine has a molecular weight of 267.33 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2,3,4,6-tetrahydro-1H-indolo[2,3-b]quinolin-11-amine is sourced from PubChem (CID 155515606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).