5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline

C23H29N5 — CID 123719552

IUPAC5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline
SMILESC1=CC2=C(CCC=N2)C(C2N=CCC=C2N2CCN(C3=CC=NCC3)CC2)C1
InChIInChI=1S/C23H29N5/c1-4-20(19-5-2-10-25-21(19)6-1)23-22(7-3-11-26-23)28-16-14-27(15-17-28)18-8-12-24-13-9-18/h1,6-8,10-12,20,23H,2-5,9,13-17H2
InChIKeyKVVGYGRBCGCLDD-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.38
Rot. Bonds3

About 5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline

5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline (PubChem CID 123719552) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline.

Molecular Properties

Compound Name5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline
PubChem CID123719552
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline
SMILESC1=CC2=C(CCC=N2)C(C2N=CCC=C2N2CCN(C3=CC=NCC3)CC2)C1
InChIInChI=1S/C23H29N5/c1-4-20(19-5-2-10-25-21(19)6-1)23-22(7-3-11-26-23)28-16-14-27(15-17-28)18-8-12-24-13-9-18/h1,6-8,10-12,20,23H,2-5,9,13-17H2
InChIKeyKVVGYGRBCGCLDD-UHFFFAOYSA-N
XLogP3.38
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine
CID 67870325
5-(1-Methylpiperidin-4-yl)-1,8-diazatetracyclo[8.7.1.02,7.014,18]octadeca-2,6,8,10(18),14,16-hexaene
CID 70390797
7-[(E)-6,7,8,8a-tetrahydro-1H-isoquinolin-5-ylidenemethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6-diene
CID 88863609
1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine
CID 90924542
N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine
CID 123821348
13-azatricyclo[7.3.1.05,13]trideca-1(12),2,7-triene;4,19-diazapentacyclo[11.7.0.02,10.03,7.016,20]icosa-1,3,7,10,13,16,18-heptaene;(1Z)-14,18,21-triazapentacyclo[11.5.5.04,17.07,16.010,15]tricosa-1(19),2,6,8,10(15),13,17,21-octaene
CID 159209297
1,2-bis(3-methylidenepent-4-enyl)-3,4,4a,5,6,6a-hexahydro-2H-1,7-phenanthroline
CID 176088922
1,2-bis(3-methylidenehepta-4,6-dienyl)-3,4,4a,5,6,6a-hexahydro-2H-1,7-phenanthroline
CID 176088924
2,9-Dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
CID 10526717

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline?
The IUPAC name of 5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline (CID 123719552) is 5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline.
What is the SMILES notation for 5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline?
The canonical SMILES for 5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline is C1=CC2=C(CCC=N2)C(C2N=CCC=C2N2CCN(C3=CC=NCC3)CC2)C1.
What is the InChIKey of 5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline?
The InChIKey is KVVGYGRBCGCLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-4-20(19-5-2-10-25-21(19)6-1)23-22(7-3-11-26-23)28-16-14-27(15-17-28)18-8-12-24-13-9-18/h1,6-8,10-12,20,23H,2-5,9,13-17H2.
What are the key properties of 5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline?
5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline has a molecular weight of 375.52 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2,3-dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline is sourced from PubChem (CID 123719552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).