1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine

C18H17N3 — CID 79231157

IUPAC1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(Cc1ccnc3ccccc13)CC2
InChIInChI=1S/C18H17N3/c19-15-6-5-13-8-10-21(18(13)11-15)12-14-7-9-20-17-4-2-1-3-16(14)17/h1-7,9,11H,8,10,12,19H2
InChIKeyXQDDIHVKPGQNPV-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.38
Rot. Bonds2

About 1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine

1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine (PubChem CID 79231157) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine
PubChem CID79231157
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(Cc1ccnc3ccccc13)CC2
InChIInChI=1S/C18H17N3/c19-15-6-5-13-8-10-21(18(13)11-15)12-14-7-9-20-17-4-2-1-3-16(14)17/h1-7,9,11H,8,10,12,19H2
InChIKeyXQDDIHVKPGQNPV-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine (CID 79231157) is 1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(Cc1ccnc3ccccc13)CC2.
What is the InChIKey of 1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine?
The InChIKey is XQDDIHVKPGQNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-15-6-5-13-8-10-21(18(13)11-15)12-14-7-9-20-17-4-2-1-3-16(14)17/h1-7,9,11H,8,10,12,19H2.
What are the key properties of 1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine?
1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-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-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine is sourced from PubChem (CID 79231157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).