3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide

C21H21N3O — CID 109035056

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide
SMILESO=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12
InChIInChI=1S/C21H21N3O/c25-20(23-18-10-3-7-17-8-4-13-22-21(17)18)12-15-24-14-5-9-16-6-1-2-11-19(16)24/h1-4,6-8,10-11,13H,5,9,12,14-15H2,(H,23,25)
InChIKeyFMALHFGGWXYUHY-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.02
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide (PubChem CID 109035056) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide
PubChem CID109035056
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide
SMILESO=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12
InChIInChI=1S/C21H21N3O/c25-20(23-18-10-3-7-17-8-4-13-22-21(17)18)12-15-24-14-5-9-16-6-1-2-11-19(16)24/h1-4,6-8,10-11,13H,5,9,12,14-15H2,(H,23,25)
InChIKeyFMALHFGGWXYUHY-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide (CID 109035056) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide is O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide?
The InChIKey is FMALHFGGWXYUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-20(23-18-10-3-7-17-8-4-13-22-21(17)18)12-15-24-14-5-9-16-6-1-2-11-19(16)24/h1-4,6-8,10-11,13H,5,9,12,14-15H2,(H,23,25).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 109035056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).