N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine

C18H17N3 — CID 82536084

IUPACN-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine
SMILESCN1Cc2ccc(Nc3cnc4ccccc4c3)cc2C1
InChIInChI=1S/C18H17N3/c1-21-11-14-6-7-16(9-15(14)12-21)20-17-8-13-4-2-3-5-18(13)19-10-17/h2-10,20H,11-12H2,1H3
InChIKeyRMCSHDMDQGYBSA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.92
Rot. Bonds2

About N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine

N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine (PubChem CID 82536084) has the molecular formula C18H17N3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine.

Molecular Properties

Compound NameN-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine
PubChem CID82536084
Molecular FormulaC18H17N3
Molecular Weight275.35 g/mol
Exact Mass275.14
IUPAC NameN-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine
SMILESCN1Cc2ccc(Nc3cnc4ccccc4c3)cc2C1
InChIInChI=1S/C18H17N3/c1-21-11-14-6-7-16(9-15(14)12-21)20-17-8-13-4-2-3-5-18(13)19-10-17/h2-10,20H,11-12H2,1H3
InChIKeyRMCSHDMDQGYBSA-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine?
The IUPAC name of N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine (CID 82536084) is N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine.
What is the SMILES notation for N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine?
The canonical SMILES for N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine is CN1Cc2ccc(Nc3cnc4ccccc4c3)cc2C1.
What is the InChIKey of N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine?
The InChIKey is RMCSHDMDQGYBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-21-11-14-6-7-16(9-15(14)12-21)20-17-8-13-4-2-3-5-18(13)19-10-17/h2-10,20H,11-12H2,1H3.
What are the key properties of N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine?
N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine has a molecular weight of 275.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine is sourced from PubChem (CID 82536084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).