1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine

C18H13N3 — CID 3742458

IUPAC1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine
SMILESC(=N/c1ccc2ncccc2c1)\c1c[nH]c2ccccc12
InChIInChI=1S/C18H13N3/c1-2-6-18-16(5-1)14(12-21-18)11-20-15-7-8-17-13(10-15)4-3-9-19-17/h1-12,21H/b20-11+
InChIKeyXIAPNANCCIEWTM-RGVLZGJSSA-N
MW271.32 g/mol
LogP4.47
Rot. Bonds2

About 1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine

1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine (PubChem CID 3742458) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine
PubChem CID3742458
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine
SMILESC(=N/c1ccc2ncccc2c1)\c1c[nH]c2ccccc12
InChIInChI=1S/C18H13N3/c1-2-6-18-16(5-1)14(12-21-18)11-20-15-7-8-17-13(10-15)4-3-9-19-17/h1-12,21H/b20-11+
InChIKeyXIAPNANCCIEWTM-RGVLZGJSSA-N
XLogP4.47
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine?
The IUPAC name of 1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine (CID 3742458) is 1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine is C(=N/c1ccc2ncccc2c1)\c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine?
The InChIKey is XIAPNANCCIEWTM-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H13N3/c1-2-6-18-16(5-1)14(12-21-18)11-20-15-7-8-17-13(10-15)4-3-9-19-17/h1-12,21H/b20-11+.
What are the key properties of 1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine?
1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine has a molecular weight of 271.32 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine is sourced from PubChem (CID 3742458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).