4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine

C22H22N6 — CID 168937210

IUPAC4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
SMILESc1ccc2c(N3CCNCC3)c(NCc3ccc4nccnc4c3)cnc2c1
InChIInChI=1S/C22H22N6/c1-2-4-18-17(3-1)22(28-11-9-23-10-12-28)21(15-27-18)26-14-16-5-6-19-20(13-16)25-8-7-24-19/h1-8,13,15,23,26H,9-12,14H2
InChIKeyOQANWBDYZRXFNK-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.20
Rot. Bonds4

About 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine

4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine (PubChem CID 168937210) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
PubChem CID168937210
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
SMILESc1ccc2c(N3CCNCC3)c(NCc3ccc4nccnc4c3)cnc2c1
InChIInChI=1S/C22H22N6/c1-2-4-18-17(3-1)22(28-11-9-23-10-12-28)21(15-27-18)26-14-16-5-6-19-20(13-16)25-8-7-24-19/h1-8,13,15,23,26H,9-12,14H2
InChIKeyOQANWBDYZRXFNK-UHFFFAOYSA-N
XLogP3.20
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937037
4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine
CID 177366069
5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561696
ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936937
3-piperazin-1-yl-1,5-naphthyridine
CID 174919144
4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 177366099
5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561558
2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168937199
5-chloro-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-piperazin-1-ylpyridin-3-amine
CID 168937149
4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937135
4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine?
The IUPAC name of 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine (CID 168937210) is 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine.
What is the SMILES notation for 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine?
The canonical SMILES for 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine is c1ccc2c(N3CCNCC3)c(NCc3ccc4nccnc4c3)cnc2c1.
What is the InChIKey of 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine?
The InChIKey is OQANWBDYZRXFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-2-4-18-17(3-1)22(28-11-9-23-10-12-28)21(15-27-18)26-14-16-5-6-19-20(13-16)25-8-7-24-19/h1-8,13,15,23,26H,9-12,14H2.
What are the key properties of 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine?
4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine has a molecular weight of 370.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine is sourced from PubChem (CID 168937210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).