10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

C25H32N6O — CID 23655119

IUPAC10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESCc1ccc2c(c1)c(=O)c1c(NCCCN3CCN(CCCN)CC3)ccc3ncn2c31
InChIInChI=1S/C25H32N6O/c1-18-4-7-22-19(16-18)25(32)23-20(5-6-21-24(23)31(22)17-28-21)27-9-3-11-30-14-12-29(13-15-30)10-2-8-26/h4-7,16-17,27H,2-3,8-15,26H2,1H3
InChIKeyJGDIPEQXPOCVKA-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.52
Rot. Bonds8

About 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (PubChem CID 23655119) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.

Molecular Properties

Compound Name10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
PubChem CID23655119
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESCc1ccc2c(c1)c(=O)c1c(NCCCN3CCN(CCCN)CC3)ccc3ncn2c31
InChIInChI=1S/C25H32N6O/c1-18-4-7-22-19(16-18)25(32)23-20(5-6-21-24(23)31(22)17-28-21)27-9-3-11-30-14-12-29(13-15-30)10-2-8-26/h4-7,16-17,27H,2-3,8-15,26H2,1H3
InChIKeyJGDIPEQXPOCVKA-UHFFFAOYSA-N
XLogP2.52
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one with MolForge

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Related Compounds

2-[3-[4-[3-[(5-methoxy-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-10-yl)amino]propyl]piperazin-1-yl]propyl]-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 23655291
10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 15680109
13-[3-(diethylamino)propylamino]-1,6,7,17-tetrazapentacyclo[10.6.1.02,10.05,9.016,19]nonadeca-2(10),3,5(9),7,12,14,16(19),17-octaen-11-one;13-[3-(4-methylpiperazin-1-yl)propylamino]-1,6,7,17-tetrazapentacyclo[10.6.1.02,10.05,9.016,19]nonadeca-2(10),3,5(9),7,12,14,16(19),17-octaen-11-one;13-(3-piperidin-1-ylpropylamino)-1,6,7,17-tetrazapentacyclo[10.6.1.02,10.05,9.016,19]nonadeca-2(10),3,5(9),7,12,14,16(19),17-octaen-11-one
CID 91376156
5-hydroxy-15-methyl-10-(3-morpholin-4-ylpropylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 24784529
methanesulfonic acid;2-[3-[4-[3-[(6-methyl-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]piperazin-1-yl]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione
CID 46877414
6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
CID 20608804
CID 20608804
3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine
CID 82166206
1-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one
CID 175824598
2-bromo-4-methyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960857
3-(3,6-dimethylcarbazol-9-yl)propan-1-amine
CID 58183726
10-[3-[hydroxy(dimethyl)azaniumyl]propylamino]-15-methyl-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-olate
CID 24769112

Frequently Asked Questions

What is the IUPAC name of 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The IUPAC name of 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (CID 23655119) is 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.
What is the SMILES notation for 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The canonical SMILES for 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is Cc1ccc2c(c1)c(=O)c1c(NCCCN3CCN(CCCN)CC3)ccc3ncn2c31.
What is the InChIKey of 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The InChIKey is JGDIPEQXPOCVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-18-4-7-22-19(16-18)25(32)23-20(5-6-21-24(23)31(22)17-28-21)27-9-3-11-30-14-12-29(13-15-30)10-2-8-26/h4-7,16-17,27H,2-3,8-15,26H2,1H3.
What are the key properties of 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one has a molecular weight of 432.57 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is sourced from PubChem (CID 23655119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).