11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione

C18H20FN5O2 — CID 135600298

IUPAC11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione
SMILESCN(C)Cc1nc2c(c(=O)[nH]1)C1CCCN1C(=O)N2c1ccc(F)cc1
InChIInChI=1S/C18H20FN5O2/c1-22(2)10-14-20-16-15(17(25)21-14)13-4-3-9-23(13)18(26)24(16)12-7-5-11(19)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,20,21,25)
InChIKeyKDRFJEVMGLBNHR-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.38
Rot. Bonds3

About 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione

11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione (PubChem CID 135600298) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione.

Molecular Properties

Compound Name11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione
PubChem CID135600298
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione
SMILESCN(C)Cc1nc2c(c(=O)[nH]1)C1CCCN1C(=O)N2c1ccc(F)cc1
InChIInChI=1S/C18H20FN5O2/c1-22(2)10-14-20-16-15(17(25)21-14)13-4-3-9-23(13)18(26)24(16)12-7-5-11(19)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,20,21,25)
InChIKeyKDRFJEVMGLBNHR-UHFFFAOYSA-N
XLogP2.38
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione with MolForge

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Related Compounds

11-(Morpholin-4-ylmethyl)-8-phenyl-7-sulfanylidene-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-dien-13-one
CID 135995897
11-(1-Morpholin-4-ylethyl)-8-phenyl-7-sulfanylidene-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-dien-13-one
CID 135995898
3-(2-(Dimethylamino)ethyl)-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 24967884
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135491323
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135491321
"2-[4,5-dimethyl-6-oxo-2-piperidino-1(6H)-pyrimidinyl]-N-(3-fluorophenyl)acetamide"
CID 91913728
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7,13-dioxo-8-phenyl-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-11-carboxamide
CID 136232624
Pyrimido(4,5-d)pyrimidine-2,4,5(1H,3H,6H)-trione, 6-(2-fluorophenyl)-1,3,7-trimethyl-
CID 3049072
Imidazo(1,2-a)pyrimidine-6-carboxamide, 1,2,3,5-tetrahydro-N-butyl-5-oxo-1-phenyl-
CID 3072194
1-(4-fluorophenyl)-3-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)urea
CID 44010046
1-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-3-(3-fluorophenyl)urea
CID 44010066
N-(3-fluorophenyl)-2-[4-methyl-6-oxo-2-(pyrrolidin-1-yl)-1,6-dihydropyrimidin-1-yl]acetamide
CID 49667234

Frequently Asked Questions

What is the IUPAC name of 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione?
The IUPAC name of 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione (CID 135600298) is 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione.
What is the SMILES notation for 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione?
The canonical SMILES for 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione is CN(C)Cc1nc2c(c(=O)[nH]1)C1CCCN1C(=O)N2c1ccc(F)cc1.
What is the InChIKey of 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione?
The InChIKey is KDRFJEVMGLBNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-22(2)10-14-20-16-15(17(25)21-14)13-4-3-9-23(13)18(26)24(16)12-7-5-11(19)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,20,21,25).
What are the key properties of 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione?
11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione has a molecular weight of 357.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(dimethylamino)methyl]-8-(4-fluorophenyl)-6,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10-diene-7,13-dione is sourced from PubChem (CID 135600298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).