N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane

C20H27ClN6 — CID 168936940

IUPACN-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane
SMILESCC.Clc1cc2nccnc2cc1CNC1=CNCC=C1N1CCNCC1
InChIInChI=1S/C18H21ClN6.C2H6/c19-14-10-16-15(22-3-4-23-16)9-13(14)11-24-17-12-21-2-1-18(17)25-7-5-20-6-8-25;1-2/h1,3-4,9-10,12,20-21,24H,2,5-8,11H2;1-2H3
InChIKeyDFFGUJJYIMSCNO-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.63
Rot. Bonds4

About N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane

N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane (PubChem CID 168936940) has the molecular formula C20H27ClN6 and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane.

Molecular Properties

Compound NameN-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane
PubChem CID168936940
Molecular FormulaC20H27ClN6
Molecular Weight386.93 g/mol
Exact Mass386.20
IUPAC NameN-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane
SMILESCC.Clc1cc2nccnc2cc1CNC1=CNCC=C1N1CCNCC1
InChIInChI=1S/C18H21ClN6.C2H6/c19-14-10-16-15(22-3-4-23-16)9-13(14)11-24-17-12-21-2-1-18(17)25-7-5-20-6-8-25;1-2/h1,3-4,9-10,12,20-21,24H,2,5-8,11H2;1-2H3
InChIKeyDFFGUJJYIMSCNO-UHFFFAOYSA-N
XLogP2.63
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane?
The IUPAC name of N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane (CID 168936940) is N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane.
What is the SMILES notation for N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane?
The canonical SMILES for N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane is CC.Clc1cc2nccnc2cc1CNC1=CNCC=C1N1CCNCC1.
What is the InChIKey of N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane?
The InChIKey is DFFGUJJYIMSCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6.C2H6/c19-14-10-16-15(22-3-4-23-16)9-13(14)11-24-17-12-21-2-1-18(17)25-7-5-20-6-8-25;1-2/h1,3-4,9-10,12,20-21,24H,2,5-8,11H2;1-2H3.
What are the key properties of N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane?
N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane has a molecular weight of 386.93 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane is sourced from PubChem (CID 168936940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).