[4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine

C18H17N3 — CID 62206918

IUPAC[4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine
SMILESNCc1cnc2ccccc2c1N1Cc2ccccc2C1
InChIInChI=1S/C18H17N3/c19-9-15-10-20-17-8-4-3-7-16(17)18(15)21-11-13-5-1-2-6-14(13)12-21/h1-8,10H,9,11-12,19H2
InChIKeyMVMFVQGZVBBMAB-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.21
Rot. Bonds2

About [4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine

[4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine (PubChem CID 62206918) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is [4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine
PubChem CID62206918
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name[4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine
SMILESNCc1cnc2ccccc2c1N1Cc2ccccc2C1
InChIInChI=1S/C18H17N3/c19-9-15-10-20-17-8-4-3-7-16(17)18(15)21-11-13-5-1-2-6-14(13)12-21/h1-8,10H,9,11-12,19H2
InChIKeyMVMFVQGZVBBMAB-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine?
The IUPAC name of [4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine (CID 62206918) is [4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine.
What is the SMILES notation for [4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine?
The canonical SMILES for [4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine is NCc1cnc2ccccc2c1N1Cc2ccccc2C1.
What is the InChIKey of [4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine?
The InChIKey is MVMFVQGZVBBMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-9-15-10-20-17-8-4-3-7-16(17)18(15)21-11-13-5-1-2-6-14(13)12-21/h1-8,10H,9,11-12,19H2.
What are the key properties of [4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine?
[4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine has a molecular weight of 275.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dihydroisoindol-2-yl)quinolin-3-yl]methanamine is sourced from PubChem (CID 62206918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).