2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione

C18H17N3O2 — CID 679881

IUPAC2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CNN1CCCc2ccccc21
InChIInChI=1S/C18H17N3O2/c22-17-14-8-2-3-9-15(14)18(23)20(17)12-19-21-11-5-7-13-6-1-4-10-16(13)21/h1-4,6,8-10,19H,5,7,11-12H2
InChIKeyDNCYETGPKPZZQS-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.20
Rot. Bonds3

About 2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione

2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione (PubChem CID 679881) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione
PubChem CID679881
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CNN1CCCc2ccccc21
InChIInChI=1S/C18H17N3O2/c22-17-14-8-2-3-9-15(14)18(23)20(17)12-19-21-11-5-7-13-6-1-4-10-16(13)21/h1-4,6,8-10,19H,5,7,11-12H2
InChIKeyDNCYETGPKPZZQS-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione (CID 679881) is 2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CNN1CCCc2ccccc21.
What is the InChIKey of 2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione?
The InChIKey is DNCYETGPKPZZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-17-14-8-2-3-9-15(14)18(23)20(17)12-19-21-11-5-7-13-6-1-4-10-16(13)21/h1-4,6,8-10,19H,5,7,11-12H2.
What are the key properties of 2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione?
2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione has a molecular weight of 307.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione is sourced from PubChem (CID 679881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).