2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine

C20H23F3N4 — CID 91157741

IUPAC2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine
SMILESCC1C=c2c(c(N3CCN(C)CC3)nc3ccc(C(F)(F)F)cc23)=NC1C
InChIInChI=1S/C20H23F3N4/c1-12-10-16-15-11-14(20(21,22)23)4-5-17(15)25-19(18(16)24-13(12)2)27-8-6-26(3)7-9-27/h4-5,10-13H,6-9H2,1-3H3
InChIKeySWAVBJMIFROFRT-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.44
Rot. Bonds1

About 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine

2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine (PubChem CID 91157741) has the molecular formula C20H23F3N4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine.

Molecular Properties

Compound Name2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine
PubChem CID91157741
Molecular FormulaC20H23F3N4
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine
SMILESCC1C=c2c(c(N3CCN(C)CC3)nc3ccc(C(F)(F)F)cc23)=NC1C
InChIInChI=1S/C20H23F3N4/c1-12-10-16-15-11-14(20(21,22)23)4-5-17(15)25-19(18(16)24-13(12)2)27-8-6-26(3)7-9-27/h4-5,10-13H,6-9H2,1-3H3
InChIKeySWAVBJMIFROFRT-UHFFFAOYSA-N
XLogP2.44
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine with MolForge

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Related Compounds

8-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-9,10-dihydro-8H-azepino[2,3-c]quinoline
CID 70909049
4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
CID 21029579
4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline
CID 143957660
1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline
CID 162601554
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline
CID 143957400
2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 10596297
3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 154312706
2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
CID 71662745
2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 86039288
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine?
The IUPAC name of 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine (CID 91157741) is 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine.
What is the SMILES notation for 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine?
The canonical SMILES for 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine is CC1C=c2c(c(N3CCN(C)CC3)nc3ccc(C(F)(F)F)cc23)=NC1C.
What is the InChIKey of 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine?
The InChIKey is SWAVBJMIFROFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4/c1-12-10-16-15-11-14(20(21,22)23)4-5-17(15)25-19(18(16)24-13(12)2)27-8-6-26(3)7-9-27/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine?
2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine has a molecular weight of 376.43 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine is sourced from PubChem (CID 91157741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).