8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C25H30N6O — CID 145204389

IUPAC8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESC=NNc1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)ccc1C
InChIInChI=1S/C25H30N6O/c1-17-5-7-19(15-22(17)29-26-2)31-12-10-30(11-13-31)16-18-6-8-20-23(14-18)28-25(32)21-4-3-9-27-24(20)21/h5-8,14-15,27,29H,2-4,9-13,16H2,1H3,(H,28,32)
InChIKeyYYEMPXVCTGVTBD-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.54
Rot. Bonds5

About 8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 145204389) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID145204389
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESC=NNc1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)ccc1C
InChIInChI=1S/C25H30N6O/c1-17-5-7-19(15-22(17)29-26-2)31-12-10-30(11-13-31)16-18-6-8-20-23(14-18)28-25(32)21-4-3-9-27-24(20)21/h5-8,14-15,27,29H,2-4,9-13,16H2,1H3,(H,28,32)
InChIKeyYYEMPXVCTGVTBD-UHFFFAOYSA-N
XLogP3.54
TPSA75.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 134595879
8-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-10-methyl-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 134595845
8-[[4-[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 145204373
8-[[4-[(1E,3E)-1,4-diamino-4-chlorobuta-1,3-dienyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 145204402
8-(imidazol-1-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;hydrochloride
CID 67381414
10-ethoxy-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 134586984
4-[4-[(1-methoxy-5-oxo-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzonitrile
CID 146221543
2-fluoro-4-[4-[[10-(hydroxymethyl)-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl]methyl]piperazin-1-yl]benzonitrile
CID 134595876
8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424898
3-chloro-4-[4-[(10-methyl-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzonitrile;formaldehyde
CID 161349258
formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 162044922
N-methyl-5-[4-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166088928

Frequently Asked Questions

What is the IUPAC name of 8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 145204389) is 8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is C=NNc1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)ccc1C.
What is the InChIKey of 8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is YYEMPXVCTGVTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17-5-7-19(15-22(17)29-26-2)31-12-10-30(11-13-31)16-18-6-8-20-23(14-18)28-25(32)21-4-3-9-27-24(20)21/h5-8,14-15,27,29H,2-4,9-13,16H2,1H3,(H,28,32).
What are the key properties of 8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 430.56 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 145204389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).