(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone

C19H21ClN4O — CID 162652318

IUPAC(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21
InChIInChI=1S/C19H21ClN4O/c20-15-4-5-17-16(13-15)21-9-12-24(17)19(25)14-6-10-23(11-7-14)18-3-1-2-8-22-18/h1-5,8,13-14,21H,6-7,9-12H2
InChIKeyYBZKIUKJODDKMA-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.41
Rot. Bonds2

About (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone

(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone (PubChem CID 162652318) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
PubChem CID162652318
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21
InChIInChI=1S/C19H21ClN4O/c20-15-4-5-17-16(13-15)21-9-12-24(17)19(25)14-6-10-23(11-7-14)18-3-1-2-8-22-18/h1-5,8,13-14,21H,6-7,9-12H2
InChIKeyYBZKIUKJODDKMA-UHFFFAOYSA-N
XLogP3.41
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-chlorospiro[3,4-dihydro-2H-1-benzazepine-5,1'-cyclopropane]-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
CID 90349868
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-[4-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 90350126
(2-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone
CID 46898323
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44756867
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
cyclopropyl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 64851401
2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172891744
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902056
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 120631278
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone (CID 162652318) is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
The InChIKey is YBZKIUKJODDKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-15-4-5-17-16(13-15)21-9-12-24(17)19(25)14-6-10-23(11-7-14)18-3-1-2-8-22-18/h1-5,8,13-14,21H,6-7,9-12H2.
What are the key properties of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone?
(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone has a molecular weight of 356.86 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(1-pyridin-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 162652318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).