10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride

C19H22Cl2N4O — CID 14510158

IUPAC10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride
SMILESCc1nc2ccc(NCCN(C)C)c3c(=O)c4ccccc4n1c23.Cl.Cl
InChIInChI=1S/C19H20N4O.2ClH/c1-12-21-15-9-8-14(20-10-11-22(2)3)17-18(15)23(12)16-7-5-4-6-13(16)19(17)24;;/h4-9,20H,10-11H2,1-3H3;2*1H
InChIKeySPWVPDMXNHZHTB-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.56
Rot. Bonds4

About 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride

10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride (PubChem CID 14510158) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride.

Molecular Properties

Compound Name10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride
PubChem CID14510158
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC Name10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride
SMILESCc1nc2ccc(NCCN(C)C)c3c(=O)c4ccccc4n1c23.Cl.Cl
InChIInChI=1S/C19H20N4O.2ClH/c1-12-21-15-9-8-14(20-10-11-22(2)3)17-18(15)23(12)16-7-5-4-6-13(16)19(17)24;;/h4-9,20H,10-11H2,1-3H3;2*1H
InChIKeySPWVPDMXNHZHTB-UHFFFAOYSA-N
XLogP3.56
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride?
The IUPAC name of 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride (CID 14510158) is 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride.
What is the SMILES notation for 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride?
The canonical SMILES for 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride is Cc1nc2ccc(NCCN(C)C)c3c(=O)c4ccccc4n1c23.Cl.Cl.
What is the InChIKey of 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride?
The InChIKey is SPWVPDMXNHZHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.2ClH/c1-12-21-15-9-8-14(20-10-11-22(2)3)17-18(15)23(12)16-7-5-4-6-13(16)19(17)24;;/h4-9,20H,10-11H2,1-3H3;2*1H.
What are the key properties of 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride?
10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride has a molecular weight of 393.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride is sourced from PubChem (CID 14510158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).