10-[2-(dimethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

C19H19FN4O — CID 24803501

IUPAC10-[2-(dimethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESCc1nc2ccc(NCCN(C)C)c3c(=O)c4cc(F)ccc4n1c23
InChIInChI=1S/C19H19FN4O/c1-11-22-15-6-5-14(21-8-9-23(2)3)17-18(15)24(11)16-7-4-12(20)10-13(16)19(17)25/h4-7,10,21H,8-9H2,1-3H3
InChIKeyKPWXNVNNCQMVCZ-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.86
Rot. Bonds4

About 10-[2-(dimethylamino)ethylamino]-5-fluoro-15-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-[2-(dimethylamino)ethylamino]-5-fluoro-15-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 24803501) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 10-[2-(dimethylamino)ethylamino]-5-fluoro-15-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-[2-(dimethylamino)ethylamino]-5-fluoro-15-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 CID24803501
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name10-[2-(dimethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESCc1nc2ccc(NCCN(C)C)c3c(=O)c4cc(F)ccc4n1c23
InChIInChI=1S/C19H19FN4O/c1-11-22-15-6-5-14(21-8-9-23(2)3)17-18(15)24(11)16-7-4-12(20)10-13(16)19(17)25/h4-7,10,21H,8-9H2,1-3H3
InChIKeyKPWXNVNNCQMVCZ-UHFFFAOYSA-N
XLogP2.86
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.86
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]-5-fluoro-15-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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Frequently Asked Questions

What is the IUPAC name of 10-[2-(dimethylamino)ethylamino]-5-fluoro-15-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-[2-(dimethylamino)ethylamino]-5-fluoro-15-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 24803501) is 10-[2-(dimethylamino)ethylamino]-5-fluoro-15-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-[2-(dimethylamino)ethylamino]-5-fluoro-15-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-[2-(dimethylamino)ethylamino]-5-fluoro-15-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 Cc1nc2ccc(NCCN(C)C)c3c(=O)c4cc(F)ccc4n1c23.
What is the InChIKey of 10-[2-(dimethylamino)ethylamino]-5-fluoro-15-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 KPWXNVNNCQMVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-11-22-15-6-5-14(21-8-9-23(2)3)17-18(15)24(11)16-7-4-12(20)10-13(16)19(17)25/h4-7,10,21H,8-9H2,1-3H3.
What are the key properties of 10-[2-(dimethylamino)ethylamino]-5-fluoro-15-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-[2-(dimethylamino)ethylamino]-5-fluoro-15-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 338.39 g/mol, XLogP of 2.86, 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]-5-fluoro-15-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 24803501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).