6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one

C22H23Cl2N7O — CID 10743042

IUPAC6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one
SMILESCn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O
InChIInChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)
InChIKeyRORFUFVFDXKMOM-UHFFFAOYSA-N
MW472.38 g/mol
LogP3.12
Rot. Bonds5

About 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one

6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one (PubChem CID 10743042) has the molecular formula C22H23Cl2N7O and a molecular weight of 472.38 g/mol. Its IUPAC name is 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one.

Molecular Properties

Compound Name6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one
PubChem CID10743042
Molecular FormulaC22H23Cl2N7O
Molecular Weight472.38 g/mol
Exact Mass471.13
IUPAC Name6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one
SMILESCn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O
InChIInChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)
InChIKeyRORFUFVFDXKMOM-UHFFFAOYSA-N
XLogP3.12
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one with MolForge

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Related Compounds

Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19i
CID 135402958
8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 137175094
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19c
CID 135402952
8-[4-[2-[4-(4-Chlorophenyl)piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567110
8-[4-[2-[4-(3-chlorophenyl)-4-methylpiperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138393341
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 15950753
N-(2-chlorophenyl)-5-(piperidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882619
2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 132218631
2-[[5-chloro-2-[(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731662
2-[[5-chloro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731677
6-Chloro-4-methyl-11-[2-(4-phenylpiperazin-1-yl)ethylamino]-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one
CID 10048729
8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175179

Frequently Asked Questions

What is the IUPAC name of 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one?
The IUPAC name of 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one (CID 10743042) is 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one.
What is the SMILES notation for 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one?
The canonical SMILES for 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one is Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O.
What is the InChIKey of 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one?
The InChIKey is RORFUFVFDXKMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26).
What are the key properties of 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one?
6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one has a molecular weight of 472.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4-methyl-4,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,7,10,12-pentaen-3-one is sourced from PubChem (CID 10743042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).