[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C23H21N3O3 — CID 109212442

IUPAC[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(NCc2ccc3c(c2)OCO3)ccn1)N1CCCc2ccccc21
InChIInChI=1S/C23H21N3O3/c27-23(26-11-3-5-17-4-1-2-6-20(17)26)19-13-18(9-10-24-19)25-14-16-7-8-21-22(12-16)29-15-28-21/h1-2,4,6-10,12-13H,3,5,11,14-15H2,(H,24,25)
InChIKeyAXLVDRLIJOFRQS-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.02
Rot. Bonds4

About [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109212442) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109212442
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(NCc2ccc3c(c2)OCO3)ccn1)N1CCCc2ccccc21
InChIInChI=1S/C23H21N3O3/c27-23(26-11-3-5-17-4-1-2-6-20(17)26)19-13-18(9-10-24-19)25-14-16-7-8-21-22(12-16)29-15-28-21/h1-2,4,6-10,12-13H,3,5,11,14-15H2,(H,24,25)
InChIKeyAXLVDRLIJOFRQS-UHFFFAOYSA-N
XLogP4.02
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109157414
[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206408
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258276
2,3-dihydroindol-1-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209514
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219564
2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109213671
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212418
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
[4-(2,6-difluoroanilino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109219687
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109212344

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109212442) is [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cc(NCc2ccc3c(c2)OCO3)ccn1)N1CCCc2ccccc21.
What is the InChIKey of [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is AXLVDRLIJOFRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-23(26-11-3-5-17-4-1-2-6-20(17)26)19-13-18(9-10-24-19)25-14-16-7-8-21-22(12-16)29-15-28-21/h1-2,4,6-10,12-13H,3,5,11,14-15H2,(H,24,25).
What are the key properties of [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 387.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109212442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).